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Cas Database

75-36-5

75-36-5

Identification

  • Product Name:Acetyl chloride

  • CAS Number: 75-36-5

  • EINECS:200-865-6

  • Molecular Weight:78.4982

  • Molecular Formula: C2H3ClO

  • HS Code:2915.90 Oral rat LD50: 910 mg/kg

  • Mol File:75-36-5.mol

Synonyms:Acetic chloride;Ethanoyl chloride;RCRA waste number U006;Acetic acid, chloride;4-02-00-00395 (Beilstein Handbook Reference);

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Safety information and MSDS view more

  • Pictogram(s):FlammableF, CorrosiveC

  • Hazard Codes: F:Flammable;

  • Signal Word:Danger

  • Hazard Statement:H225 Highly flammable liquid and vapourH314 Causes severe skin burns and eye damage

  • First-aid measures: General adviceConsult a physician. Show this safety data sheet to the doctor in attendance.If inhaled Fresh air, rest. Half-upright position. Artificial respiration may be needed. Refer for medical attention. In case of skin contact Remove contaminated clothes. Rinse skin with plenty of water or shower. Refer for medical attention . In case of eye contact First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention. If swallowed Rinse mouth. Do NOT induce vomiting. Give nothing to drink. Refer for medical attention . Vapor irritates mucous membranes. Ingestion of liquid or contact with eyes or skin causes severe irritation. (USCG, 1999) Basic treatment: Establish a patent airway. Suction if necessary. Watch for signs of respiratory insufficiency and assist respirations if necessary. Administer oxygen by nonrebreather mask at 10 to 15 L/min. Monitor for pulmonary edema and treat if necessary ... . Monitor for shock and treat if necessary ... . For eye contamination, flush eyes immediately with water. Irrigate each eye continuously with normal saline during transport ... . Do not use emetics. For ingestion, rinse mouth and administer 5 ml/kg up to 200 ml of water for dilution if the patient can swallow, has a strong gag reflex, and does not drool. Activated charcoal is not effective ... . Do not attempt to neutralize because of exothermic reaction. Cover skin burns with dry, sterile dressings after decontamination ... . /Organic acids and related compounds/

  • Fire-fighting measures: Suitable extinguishing media Evacuate surrounding area. Special Hazards of Combustion Products: When heated to decomposition, hydrogen chloride and phosgene, extremely poisonous gases, are evolved. Behavior in Fire: Vapor is heavier than air and may travel a considerable distance to a source of ignition and flash back. (USCG, 1999) Wear self-contained breathing apparatus for firefighting if necessary.

  • Accidental release measures: Use personal protective equipment. Avoid dust formation. Avoid breathing vapours, mist or gas. Ensure adequate ventilation. Evacuate personnel to safe areas. Avoid breathing dust. For personal protection see section 8. Evacuate danger area! Consult an expert! Personal protection: complete protective clothing including self-contained breathing apparatus. Do NOT wash away into sewer. Collect leaking and spilled liquid in sealable containers as far as possible. Absorb remaining liquid in sand or inert absorbent. Then store and dispose of according to local regulations. Cover any spills with sufficient amt of sodium bicarbonate. Remove the mixture in a container such as a fiber drum, plastic bag or carton box for easy disposal in an incinerator, and dispose by burning in a furnace. Wash the spilled spot thoroughly with water.

  • Handling and storage: Avoid contact with skin and eyes. Avoid formation of dust and aerosols. Avoid exposure - obtain special instructions before use.Provide appropriate exhaust ventilation at places where dust is formed. For precautions see section 2.2. Fireproof. Separated from incompatible materials. See Chemical Dangers. Dry. Well closed.Separate from alcohols, alkalies, amines, and strong oxidizing materials. Store in a cool, dry well-ventilated location. Outside or detached storage is preferred. Inside storage should be in a standard flammable liquids storage warehouse, room, or cabinet.

  • Exposure controls/personal protection:Occupational Exposure limit valuesBiological limit values Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and at the end of workday. Eye/face protection Safety glasses with side-shields conforming to EN166. Use equipment for eye protection tested and approved under appropriate government standards such as NIOSH (US) or EN 166(EU). Skin protection Wear impervious clothing. The type of protective equipment must be selected according to the concentration and amount of the dangerous substance at the specific workplace. Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique(without touching glove's outer surface) to avoid skin contact with this product. Dispose of contaminated gloves after use in accordance with applicable laws and good laboratory practices. Wash and dry hands. The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and the standard EN 374 derived from it. Respiratory protection Wear dust mask when handling large quantities. Thermal hazards

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Relevant articles and documentsAll total 179 Articles be found

Photopolymerization of Disordered Solid Acetaldehyde at Crygenic Temperature

Mansueto, Edward S.,Wight, Charles A.

, p. 1502 - 1504 (1992)

Binary solid solutions of 5percent chlorine in acetaldehyde were formed by vapor deposition onto the surface of a CsI optical window at 77 and 10 K.Laser photolysis of the low-temperature films at 308 nm induces a chemical reaction forming acetyl chloride and oligomeric acetaldehyde as the major products.The average chain length of the oligomer is 8.1 +/- 1.1 monomer units for the 77 K experiments.Films deposited and photolyzed at 10 K exhibit smaller chain lengths which grow upon warming to temperature above 40 K.The photochemical behavior of this system parallels that of well-studied formaldehyde polymerization reaction in the solid state in which the principal barriers to chain propagation are spatial and orientational discordering of molecules in the solid lattice.

Chemical decarbonylation of organometallic compounds

Alexander, John J.,Wojcicki, Andrew

, p. 74 - 76 (1973)

Transition metal carbonyl acyl complexes of the type π-C5H5M(CO)nCOR (M = Fe, n = 2; M, = Mo, n = 3) can be chemically decarbonylated under mild conditions using Rh[P(C6H5)3]3Cl. The products are a mixture of the corresponding alkyl and triphenylphosphine-substituted acyl complexes. The scope and mechanism of this reaction are discussed.

1,1-Dichloroethyl Hydroperoxide and 1,1-Dichloroethyl Peroxide Ion as Intermediates in the Ozonolysis of 2,3-Dichloro-2-butene

Gaeb, Siegmar,Turner, Walter V.

, p. 2711 - 2714 (1984)

On the basis of its spectroscopic and chemical properties, an unstable intermediate previously detected in the ozonolysis of trans-2,3-dichloro-2-butene (1) in inert solvents is reformulated as 1,1-dichloroethyl hydroperoxide (5).Ozonolysis of 1 in ethyl formate saturated with anhydrous HCl leads to high yields of this intermediate. 1,1-Dichloroethyl peroxide ion (10), rather then 5, is believed to be the precursor of acetyl 1,1-dichloroethyl peroxide (8), which is produced in higher yield on ozonolysis of 1 in the presence of tetraalkylammonium chloride.

-

Porter,Iloff

, p. 6200 (1974)

-

Rhodium(III)-catalyzed chemodivergent annulations between phenyloxazoles and diazos via C–H activation

Zhang, Xueguo,Wang, Peigen,Zhu, Liangwei,Chen, Baohua

supporting information, p. 695 - 699 (2020/06/28)

Acid-controlled, chemodivergent and redox-neutral annulations for the synthesis of isocoumarins and isoquinolinones have been realized via Rh(III)-catalyzed C[sbnd]H activation. Diazo compounds act as a carbene precursor, and coupling occurs in one-pot process, where adipic acid and trimethylacetic acid promote chemodivergent cyclizations.

Benzimidazole tethered thioureas as a new entry to elastase inhibition and free radical scavenging: Synthesis, molecular docking, and enzyme inhibitory kinetics

Abbas, Qamar,Ashraf, Saba,Channar, Pervaiz Ali,Hassan, Abbas,Hassan, Mubashar,Rafique, Hummera,Raza, Hussain,Rind, Mahboob Ali,Saeed, Aamer,Seo, Sung-Yum,Ujan, Rabail,Ul-Hamid, Anwar

, (2021/07/02)

The porcine pancreatic elastase inhibition and free-radical scavenging play a crucial role in age progression. All the series of 10 newly synthesized benzimidazole thioureas (4a-j) were assessed for elastase inhibition and radical scavenging activity to identify the suitable anti-aging ingredient for cosmetics products. The compounds 4e, 4f, 4g, and 4h showed inhibition better than the standard, while compound 4f showed the most significant elastase inhibition with the IC50 value of 1.318 ± 0.025 μM compared with oleanic acid IC50 13.451 ± 0.014 used ±1.989 and 41.563 ± 0.824, respectively, as standard. Molecular docking studies were performed and the compound 4f showed binding energy of 7.2 kcal/mol. Kinetics studies revealed inhibition of the pancreatic elastase in a competitive manner. The relative binding energy and structure activity relationship (SAR) identified compound 4f as an effective inhibitor of porcine pancreatic elastase. Compounds 4e and 4i showed remarkable free-radical scavenging activity with SC50 values of 26.421.

Neutrophil-Selective Fluorescent Probe Development through Metabolism-Oriented Live-Cell Distinction

Gao, Min,Lee, Sun Hyeok,Park, Sang Hyuk,Ciaramicoli, Larissa Miasiro,Kwon, Haw-Young,Cho, Heewon,Jeong, Joseph,Chang, Young-Tae

supporting information, p. 23743 - 23749 (2021/10/14)

Human neutrophils are the most abundant leukocytes and have been considered as the first line of defence in the innate immune system. Selective imaging of live neutrophils will facilitate the in situ study of neutrophils in infection or inflammation events as well as clinical diagnosis. However, small-molecule-based probes for the discrimination of live neutrophils among different granulocytes in human blood have yet to be reported. Herein, we report the first fluorescent probe NeutropG for the specific distinction and imaging of active neutrophils. The selective staining mechanism of NeutropG is elucidated as metabolism-oriented live-cell distinction (MOLD) through lipid droplet biogenesis with the help of ACSL and DGAT. Finally, NeutropG is applied to accurately quantify neutrophil levels in fresh blood samples by showing a high correlation with the current clinical method.

Design and synthesis of novel N-[3-(benzimidazol-2-ylamino)phenyl]amine and N-[3-(benzoxazol-2-ylamino)phenyl]amine derivatives as potential anticancer agents

Kumar, Honnavalli Yogish,Murumkar, Prashant R.,Pawar, Vijay,Srinivasan, B. P.,Yadav, M. R.

, (2021/10/20)

In this contribution, we report the design, synthesis and cytotoxicity studies of a series of N-[3-(benzimidazol-2-yl-amino)phenyl]amine and N-[3-(benzoxazol-2-ylamino)phenyl]amine derivatives. In vitro cytotoxicity assay of 26 selected compounds was carried out at National Cancer Institute (NCI), USA. Out of them, compounds 10e (NSC D-762842/1) and 11s (NSC D-764942/1) have shown remarkable cytotoxicity with GI50 values ranging between “0.589–14.3?μM” and “0.276–12.3?μM,” respectively, in the representative nine subpanels of human tumor cell lines. Further, flow cytometry analysis demonstrated that compound 10e exerted cell cycle arrest at G2/M phase and showed dose-dependent enhancement in apoptosis in K-562 leukemia cancer cells.

Conformation, and Charge Tunneling through Molecules in SAMs

Belding, Lee,Root, Samuel E.,Li, Yuan,Park, Junwoo,Baghbanzadeh, Mostafa,Rojas, Edwin,Pieters, Priscilla F.,Yoon, Hyo Jae,Whitesides, George M.

supporting information, p. 3481 - 3493 (2021/03/08)

This paper demonstrates that the molecular conformation (in addition to the composition and structure) of molecules making up self-assembled monolayers (SAMs) influences the rates of charge tunneling (CT) through them, in molecular junctions of the form AuTS/S(CH2)2CONR1R2//Ga2O3/EGaIn, where R1 and R2 are alkyl chains of different length. The lengths of chains R1 and R2 were selected to influence the conformations and conformational homogeneity of the molecules in the monolayer. The conformations of the molecules influence the thickness of the monolayer (i.e. tunneling barrier width) and their rectification ratios at ±1.0 V. When R1 = H, the molecules are well ordered and exist predominantly in trans-extended conformations. When R1 is an alkyl group (e.g., R1 H), however, their conformations can no longer be all-trans-extended, and the molecules adopt more gauche dihedral angles. This change in the type of conformation decreases the conformational order and influences the rates of tunneling. When R1 = R2, the rates of CT decrease (up to 6.3×), relative to rates of CT observed through SAMs having the same total chain lengths, or thicknesses, when R1 = H. When R1 H R2, there is a weaker correlation (relative to that when R1 = H or R1 = R2) between current density and chain length or monolayer thickness, and in some cases the rates of CT through SAMs made from molecules with different R2 groups are different, even when the thicknesses of the SAMs (as determined by XPS) are the same. These results indicate that the thickness of a monolayer composed of insulating, amide-containing alkanethiols does not solely determine the rate of CT, and rates of charge tunneling are influenced by the conformation of the molecules making up the junction.

Process route upstream and downstream products

Process route

1-Acetoxy-4-methyl-pyridinium; chloride

1-Acetoxy-4-methyl-pyridinium; chloride

4-methylpyridine-1-oxide
1003-67-4

4-methylpyridine-1-oxide

acetyl chloride
75-36-5

acetyl chloride

Conditions
Conditions Yield
In dichloromethane; at 24.9 ℃; Equilibrium constant; various temp.;
phosphorus pentachloride
10026-13-8,874483-75-7

phosphorus pentachloride

acetic acid
64-19-7,77671-22-8

acetic acid

hydrogenchloride
7647-01-0,15364-23-5

hydrogenchloride

acetyl chloride
75-36-5

acetyl chloride

Conditions
Conditions Yield
In not given; react. with glacial acetic acid under effervescing; formation of gaseous HCl, POCl3 and CH3COCl;;
In not given; react. with glacial acetic acid under effervescing; formation of gaseous HCl, POCl3 and CH3COCl;;
phosphorus pentachloride
10026-13-8,874483-75-7

phosphorus pentachloride

acetic anhydride
108-24-7

acetic anhydride

acetyl chloride
75-36-5

acetyl chloride

Conditions
Conditions Yield
In neat (no solvent); react. on mixing with acetic anhydride;;
In neat (no solvent); react. on mixing with acetic anhydride;;
tetrachlorosilane
10026-04-7,53609-55-5

tetrachlorosilane

Benzyl acetate
140-11-4

Benzyl acetate

benzyl chloride
100-44-7

benzyl chloride

acetyl chloride
75-36-5

acetyl chloride

Conditions
Conditions Yield
at 120 ℃;
acetaldehyde
75-07-0,9002-91-9

acetaldehyde

2-chloroethanal
107-20-0

2-chloroethanal

3-oxobutyraldehyde
625-34-3

3-oxobutyraldehyde

butanedial
638-37-9

butanedial

acetyl chloride
75-36-5

acetyl chloride

dimethylglyoxal
431-03-8

dimethylglyoxal

Conditions
Conditions Yield
With chlorine; In gas; at 298 ℃; for 1.66667E-06h; under 1 Torr; Rate constant; Product distribution; Thermodynamic data; other time, different concentration of Cl2;
2-Chloro-oxirane
7763-77-1

2-Chloro-oxirane

chloroethylene
75-01-4,9002-86-2

chloroethylene

acetyl chloride
75-36-5

acetyl chloride

dimethylglyoxal
431-03-8

dimethylglyoxal

Conditions
Conditions Yield
With chlorine; In gas; at 298 ℃; for 1.38889E-06h; under 1 Torr; Rate constant; Thermodynamic data; Product distribution; other reaction partner; energy data;
Benzyl acetate
140-11-4

Benzyl acetate

acetyl chloride
75-36-5

acetyl chloride

benzyl alcohol
100-51-6,185532-71-2

benzyl alcohol

Conditions
Conditions Yield
In tetrachloromethane; at 20 ℃; Equilibrium constant; kinetic of alcoholysis of acetyl chloride with benzyl alcohol; accumulation of intermediate product 1-alkoxy-1-chloroalkan-1-ol; reversibility of the reaction; IR study;
α-Chlorobenzyl acetate
26827-40-7

α-Chlorobenzyl acetate

benzaldehyde
100-52-7

benzaldehyde

acetyl chloride
75-36-5

acetyl chloride

Conditions
Conditions Yield
In chloroform-d1; at 20 ℃; Equilibrium constant;
benzylidene dichloride
98-87-3

benzylidene dichloride

acetic acid
64-19-7,77671-22-8

acetic acid

benzaldehyde
100-52-7

benzaldehyde

acetyl chloride
75-36-5

acetyl chloride

Conditions
Conditions Yield
With iron(III) chloride; at 90 - 125 ℃; for 7h; Further Variations:; Catalysts; Temperatures; Reaction partners; Product distribution;
benzylidene dichloride
98-87-3

benzylidene dichloride

ethyl acetate
141-78-6

ethyl acetate

chloroethane
75-00-3

chloroethane

benzaldehyde
100-52-7

benzaldehyde

acetyl chloride
75-36-5

acetyl chloride

Conditions
Conditions Yield

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