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| CAS No.: | 79-36-7 |
|---|---|
| Name: | 2,2-Dichloroacetyl chloride |
| Article Data: | 86 |
| Molecular Structure: | |
|
|
|
| Formula: | C2HCl3O |
| Molecular Weight: | 147.388 |
| Synonyms: | Acetylchloride, dichloro- (6CI,7CI,8CI,9CI);Dichloracetyl chloride;Dichloroaceticacid chloride;Dichloroethanoyl chloride;a,a-Dichloroacetylchloride;Acetylchloride, 2,2-dichloro-; |
| EINECS: | 201-199-9 |
| Density: | 1.581 g/cm3 |
| Melting Point: | < 25oC |
| Boiling Point: | 107.5 °C at 760 mmHg |
| Flash Point: | 31.8 °C |
| Solubility: | may decompose in water |
| Appearance: | colourless to light yellow fuming liquid |
| Hazard Symbols: |
 C,  N
|
| Risk Codes: | 35-50 |
| Safety: | 9-26-45-61 |
| Transport Information: | UN 1765 8/PG 2 |
| PSA: | 17.07000 |
| LogP: | 1.55550 |
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| Conditions | Yield |
|---|---|
| With tributyl borane; oxygen at 80℃; under 2280.15 Torr; for 11h; Reagent/catalyst; | 90% |
| With oxygen; chlorine at 40 - 50℃; Irradiation.im UV-Licht; | |
| With oxygen Irradiation.beim Behandeln des erhaltenen Gemisches aus Dichloracetylchlorid und Trichloraethylenoxyd mit wenig Dimethylamin oder anderen sekundaeren oder tertiaeren Aminen; |
- 15849-83-9, 75231-38-8, 75231-39-9
ethylphenylphosphinous chloride
- 76-03-9
trichloroacetic acid
A
- 79-36-7
dichloroacethyl chloride
B
- 1499-22-5
ethylphenylphosphinic chloride
| Conditions | Yield |
|---|---|
| for 1h; Ambient temperature; argon atmosphere; | A 88% B 50% |
| Ambient temperature; | A 88% B 50% |
- 686-69-1
diethylchlorophosphine
- 76-03-9
trichloroacetic acid
A
- 79-36-7
dichloroacethyl chloride
B
- 1112-37-4
diethylphosphinic chloride
| Conditions | Yield |
|---|---|
| for 1h; Ambient temperature; | A 87% B 60% |
- 6587-98-0, 62621-04-9, 62621-07-2
ethyl ester of ethylphenylthiophosphinic acid
- 76-03-9
trichloroacetic acid
A
- 79-36-7
dichloroacethyl chloride
B
- 41880-03-9
S-ethyl dichlorothiolacetate
C
- 1499-22-5
ethylphenylphosphinic chloride
D
- 33626-88-9
S-ethyl ethylphenylphosphinothioate
| Conditions | Yield |
|---|---|
| for 1h; Ambient temperature; argon atmosphere; | A 64% B 60% C n/a D n/a |
| Conditions | Yield |
|---|---|
| With triethylamine In dichloromethane at 40℃; for 21h; | A 9% B 22% C 38% |
| Conditions | Yield |
|---|---|
| Stage #1: dichloro-acetic acid With chloroform; oxygen; N,N-dimethyl-formamide at 30℃; for 3h; Irradiation; Stage #2: at 30℃; for 2h; | 7% |
| With thionyl chloride | |
| With zinc(II) chloride; phosphorus trichloride |
| Conditions | Yield |
|---|---|
| With dichloromethane; chlorine at -50℃; |
| Conditions | Yield |
|---|---|
| With chlorine in der Gasphase; |
| Conditions | Yield |
|---|---|
| With anionenexchanger at 130℃; |
| Conditions | Yield |
|---|---|
| With oxygen Umsetzung der bis 107grad siedenden Anteile des Reaktionsprodukts mit Metallchloriden wie SbCl5,FeCl3 oder AlCl3; |
- Total:2 Page 1 of 1 1
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Chemistry
Molecular Structure of Dichloroacetyl chloride (CAS NO.79-36-7):
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IUPAC Name: 2,2-Dichloroacetyl chloride
Canonical SMILES: C(C(=O)Cl)(Cl)Cl
InChI: InChI=1S/C2HCl3O/c3-1(4)2(5)6/h1H
InChIKey: FBCCMZVIWNDFMO-UHFFFAOYSA-N
Molecular Weight: 147.38774 [g/mol]
Molecular Formula: C2HCl3O
XLogP3-AA: 2.1
H-Bond Donor: 0
H-Bond Acceptor: 1
Appearance: colourless to light yellow fuming liquid
Melting Point: < 25 °C
EINECS: 201-199-9
Index of Refraction: 1.466
Molar Refractivity: 25.85 cm3
Molar Volume: 93.1 cm3
Surface Tension: 36.7 dyne/cm
Density: 1.581 g/cm3
Flash Point: 31.8 °C
Enthalpy of Vaporization: 34.63 kJ/mol
Boiling Point: 107.5 °C at 760 mmHg
Vapour Pressure: 27 mmHg at 25 °C
Water Solubility: MAY DECOMPOSE
Sensitive: Moisture Sensitive
Stability: Stable. Combustible. Incompatible with water, alcohols and oxidizing agents. Fumes in air.
Product Categories: Pharmaceutical Intermediates; Organics; Acid Halides; Carbonyl Compounds; Organic Building Blocks
Classification Code: Mutation data; Skin / Eye Irritant; Tumor data
Uses
Dichloroacetyl chloride (CAS NO.79-36-7) is used as organic synthesis and pesticides, pharmaceutical intermediates, sheep felt fulling finishing, bleaching, bleaching, preservation, sterilization, disinfection and so on.
Toxicity Data With Reference
| 1. | skn-rbt 2 mg/24H SEV | 85JCAE Prehled Prumyslove Toxikologie; Organicke Latky Marhold, J.,Prague, Czechoslovakia.: Avicenum,1986,571. | ||
| 2. | eye-rbt 50 µg open SEV | AMIHBC AMA Archives of Industrial Hygiene and Occupational Medicine. 4 (1951),119. | ||
| 3. | orl-rat LD50:2460 mg/kg | AMIHBC AMA Archives of Industrial Hygiene and Occupational Medicine. 4 (1951),119. | ||
| 4. | ihl-rat LCLo:2000 ppm/4H | AMIHBC AMA Archives of Industrial Hygiene and Occupational Medicine. 4 (1951),119. | ||
| 5. | skn-rbt LD50:650 mg/kg | AMIHBC AMA Archives of Industrial Hygiene and Occupational Medicine. 4 (1951),119. |
Consensus Reports
Reported in EPA TSCA Inventory.
Safety Profile
Questionable carcinogen with experimental tumorigenic data. Moderately toxic by ingestion, inhalation, and skin contact. Corrosive to the skin, eyes, and mucous membranes. Combustible when exposed to heat or flame. When heated to decomposition it emits toxic fumes of Cl−.
Safety Information of Dichloroacetyl chloride (CAS NO.79-36-7):
Hazard Codes: 
C,
N
Risk Statements: 35-50
R35:Causes severe burns ;
R50:Very Toxic to aquatic organisms ;
Safety Statements: 9-26-45-61
S9:Keep container in a well-ventilated place ;
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice ;
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) ;
S61:Avoid release to the environment. Refer to special instructions safety data sheet ;
RIDADR: UN 1765 8/PG 2
WGK: Germany 2
RTECS: AO6650000
F: 19-21
Hazard Note: Corrosive/Moisture Sensitive
HazardClass: 8
PackingGroup: II
Standards and Recommendations
DOT Classification: 8; Label: Corrosive
Specification
Dichloroacetyl chloride (CAS NO.79-36-7), its Synonyms are 2,2-Dichloroacetyl chloride ; alpha,alpha-Dichloroacetyl chloride ; Chlorid kyseliny dichloroctove ; Chlorure de dichloracetyle ; Acetyl chloride, 2,2-dichloro- .