Products Categories
CAS No.: | 78-95-5 |
---|---|
Name: | Chloroacetone |
Article Data: | 142 |
Molecular Structure: | |
Formula: | C3H5ClO |
Molecular Weight: | 92.5251 |
Synonyms: | 1-chloropropan-2-one; |
EINECS: | 201-161-1 |
Density: | 1.162 g/cm3 |
Melting Point: | -44.5 °C |
Boiling Point: | 120 °C at 760 mmHg |
Flash Point: | 27.8 °C |
Solubility: | 124 g/L (20 °C ) in water |
Appearance: | colourless to dark yellow liquid |
Hazard Symbols: | T, F, Xi, T+, N |
Risk Codes: | 10-24/25-26-36/37/38-50/53 |
Safety: | 16-23-36/37/39-45-60-61-38-28A-26 |
Transport Information: | UN 1695 6.1/PG 1 |
PSA: | 17.07000 |
LogP: | 0.81420 |
Conditions | Yield |
---|---|
With chlorine; calcium carbonate In water at 110℃; Reagent/catalyst; Temperature; | 95.6% |
With methanol; sulfuryl dichloride In dichloromethane | 85% |
With sulfuryl dichloride |
(C4H9)3SnOCH(CH2Cl)2
A
tributyltin chloride
B
chloroacetone
C
epichlorohydrin
Conditions | Yield |
---|---|
63% decompn. at 210°C (1 h); | A n/a B 5% C 95% |
Conditions | Yield |
---|---|
With trichloroisocyanuric acid; boron trifluoride diethyl etherate In acetic acid for 1h; Heating; Yields of byproduct given; | A n/a B 88% |
With water; chlorine; calcium carbonate |
Conditions | Yield |
---|---|
With sulfuric acid for 3h; Heating; | 85% |
Conditions | Yield |
---|---|
With HT4-c823 In water at 149.84℃; under 750.075 Torr; for 0.5h; Catalytic behavior; Reagent/catalyst; Temperature; Flow reactor; chemoselective reaction; | A 18.9% B 80.5% |
Conditions | Yield |
---|---|
With oxalyl dichloride; N,N-dimethyl-formamide In dichloromethane for 1h; Ambient temperature; | A 50% B 14% |
diazoacetone
N,N-dimethyl-formamide
A
chloroacetone
B
2-diazo-3-oxobutanal
Conditions | Yield |
---|---|
With oxalyl dichloride In dichloromethane for 1h; Ambient temperature; | A 50% B 14% |
diazoacetone
B
hydroxy-2-propanone
C
chloroacetone
D
1,1'-oxydi(propan-2-one)
Conditions | Yield |
---|---|
With hydrogenchloride; gallium(III) trichloride; water In dichloromethane at 20℃; for 0.0833333h; | A 34% B 8% C 20% D 31% |
cis/trans-3,5-Bis-(chloromethyl)-3-fluoro-5-methyl-1,2,4-trioxolane
A
chloroacetone
B
chloroacetyl chloride
Conditions | Yield |
---|---|
With triphenylphosphine In chloroform-d1 | A 28 % Spectr. B 23 % Spectr. C 33% |
{Pd2(μ-H)(COCH3)2(μ-dppm)2}BPh4
Pd2(CH3)2(Cl)2(μdppm)2
B
acetaldehyde
C
chloroacetone
Conditions | Yield |
---|---|
In dichloromethane warming of {Pd2(μ-H)(COCH3)2(dppm)2}BPh4 in CH2Cl2 (23°C, 24 h); | A 32% B n/a C n/a |
The Chloroacetone, also known as 2-Propanone, 1-chloro-, is an chemical compound with the formula C3H5ClO. It belongs to the product categories of Pharmaceutical Intermediates; Organics. Its EINECS registry number is 201-161-1. With the CAS registry number 78-95-5, its IUPAC name is 1-chloropropan-2-one. What's more, this chemical is a colourless to dark yellow liquid.
Physical properties of Chloroacetone: (1)ACD/LogP: 0.43; (2)ACD/LogD (pH 5.5): 0.43; (3)ACD/LogD (pH 7.4): 0.43; (4)ACD/BCF (pH 5.5): 1.24; (5)ACD/BCF (pH 7.4): 1.24; (6)ACD/KOC (pH 5.5): 40.57; (7)ACD/KOC (pH 7.4): 40.57; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 1; (10)Index of Refraction: 1.396; (11)Molar Refractivity: 20.82 cm3; (12)Molar Volume: 86.5 cm3; (13)Surface Tension: 25.7 dyne/cm; (14)Density: 1.068 g/cm3; (15)Flash Point: 27.8 °C; (16)Enthalpy of Vaporization: 35.82 kJ/mol; (17)Boiling Point: 120 °C at 760 mmHg; (18)Vapour Pressure: 15.5 mmHg at 25°C.
Preparation: this reaction will use acetone as raw materials. It will need chlorine which should be decompose produced by potassium chlorate and hydrogen chloride.
3CH3COCH3 + KClO3 + 3HCl → 3CH3COCH2Cl + KCl + 3H2O
Uses: Chloroacetone is used to make dye couplers for colour photography, and is an intermediate in chemical manufacturing. It is also used in the Feist-Benary synthesis of furans.
When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(=O)CCl
(2)InChI: InChI=1S/C3H5ClO/c1-3(5)2-4/h2H2,1H3
(3)InChIKey: BULLHNJGPPOUOX-UHFFFAOYSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
guinea pig | LD50 | skin | 100uL/kg (0.1mL/kg) | Kodak Company Reports. Vol. 21MAY1971, | |
human | LCLo | inhalation | 605ppm/10M (605ppm) | National Technical Information Service. Vol. PB214-270, | |
mouse | LD50 | intraperitoneal | 92mg/kg (92mg/kg) | BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: TREMOR | Oyo Yakuri. Pharmacometrics. Vol. 33, Pg. 695, 1987. |
mouse | LD50 | oral | 127mg/kg (127mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) SKIN AND APPENDAGES (SKIN): HAIR: OTHER BEHAVIORAL: ATAXIA | American Industrial Hygiene Association Journal. Vol. 47, Pg. 375, 1986. |
rabbit | LD50 | skin | 141mg/kg (141mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: ATAXIA SKIN AND APPENDAGES (SKIN): HAIR: OTHER | American Industrial Hygiene Association Journal. Vol. 47, Pg. 375, 1986. |
rat | LC50 | inhalation | 262ppm/1H (262ppm) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) SKIN AND APPENDAGES (SKIN): HAIR: OTHER BEHAVIORAL: ATAXIA | American Industrial Hygiene Association Journal. Vol. 47, Pg. 375, 1986. |
rat | LD50 | intraperitoneal | 80mg/kg (80mg/kg) | BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: TREMOR | Oyo Yakuri. Pharmacometrics. Vol. 33, Pg. 695, 1987. |
rat | LD50 | oral | 100mg/kg (100mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: ATAXIA SKIN AND APPENDAGES (SKIN): HAIR: OTHER | American Industrial Hygiene Association Journal. Vol. 47, Pg. 375, 1986. |