| Identification | More | [Name]
3-Chloro-2-butanone | [CAS]
4091-39-8 | [Synonyms]
1-ACETYL-1-CHLOROETHANE
1-CHLOROETHYL METHYL KETONE
2-CHLORO-3-BUTANONE
3-CHLORO-2-BUTANONE
3-CHLOROBUTANONE
3-CL-MEK
3-chloro-2-butanon
3-Chloro-2-oxobutane~Methyl alpha-chloroethyl ketone
Chlorobutanone
3-chlorobutan-2-one
3-CHLORO-2-BUTANONE, WACKER QUALITY
3-Chloro-2-butanone, tech., 95%
2-Butanone, 3-chloro-
3-chloro-2-oxobutane
chloro-mek
methyl à-chloroethyl ketone
3-CHLORO-2-BUTANONE 96+%
3-Chloro-2-butanone, 95%, tech. | [EINECS(EC#)]
223-834-9 | [Molecular Formula]
C4H7ClO | [MDL Number]
MFCD00000865 | [Molecular Weight]
106.55 | [MOL File]
4091-39-8.mol |
| Chemical Properties | Back Directory | [Appearance]
CLEAR YELLOW TO BROWNISH LIQUID | [Melting point ]
<-60°C | [Boiling point ]
114-117 °C (lit.) | [density ]
1.055 g/mL at 25 °C(lit.)
| [refractive index ]
n20/D 1.421(lit.)
| [Fp ]
70 °F
| [storage temp. ]
Flammables area | [solubility ]
30g/l | [form ]
clear liquid | [color ]
Light orange to Yellow to Green | [Specific Gravity]
1.058 (20/4℃) | [PH]
2.4 (25g/l, H2O, 20℃) | [explosive limit]
2.3%(V) | [Water Solubility ]
3 g/100 mL | [BRN ]
385637 | [Henry's Law Constant]
9.5×10-2 mol/(m3Pa) at 25℃, Ebert et al. (2023) | [InChI]
1S/C4H7ClO/c1-3(5)4(2)6/h3H,1-2H3 | [InChIKey]
OIMRLHCSLQUXLL-UHFFFAOYSA-N | [SMILES]
CC(Cl)C(C)=O | [CAS DataBase Reference]
4091-39-8(CAS DataBase Reference) | [NIST Chemistry Reference]
2-Butanone, 3-chloro-(4091-39-8) | [EPA Substance Registry System]
4091-39-8(EPA Substance) |
| Safety Data | Back Directory | [Symbol(GHS) ]
 
GHS02,GHS07 | [Signal word ]
Warning | [Hazard statements ]
H226-H302 | [Precautionary statements ]
P210-P301+P312+P330 | [Hazard Codes ]
Xn | [Risk Statements ]
R10:Flammable.
R22:Harmful if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin .
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed . | [Safety Statements ]
S16:Keep away from sources of ignition-No smoking .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice . | [RIDADR ]
UN 1224 3/PG 3
| [WGK Germany ]
3
| [RTECS ]
EL7062000
| [TSCA ]
Yes | [REACH Registrations]
Active | [HazardClass ]
3 | [PackingGroup ]
III | [HS Code ]
29147090 | [Storage Class]
3 - Flammable liquids | [Hazard Classifications]
Acute Tox. 4 Oral
Flam. Liq. 3 |
| Hazard Information | Back Directory | [Chemical Properties]
CLEAR YELLOW TO BROWNISH LIQUID | [Uses]
3-Chloro-2-butanone was used in production of chiral alcohols from acetophenone derivatives, β-ketoesters and N-Boc-3-pyrrolidinone by recombinant E. coli cells. It was used in the synthesis of carbene precursor, 3-aryl-4,5-dimethylthiazolium chloride. | [Synthesis Reference(s)]
Journal of the American Chemical Society, 77, p. 5274, 1955 DOI: 10.1021/ja01625a016 | [General Description]
3-Chloro-2-butanone reacts with 1,4-dianion of acetophenone N-ethoxycarbonylhydrazone to yield pyrazoline derivatives. | [Synthesis]
In a 250-mL three-necked flask equipped with a stirrer, constant pressure funnel and condenser tube, 43.27 g, 0.6 mol of butanone XVI and 36% HCl 30.42 g, 0.3 mol, added copper chloride 8.1 g, 0.06 mol, at 35 degrees Celsius, 30% H2O 249.23 g, 0.39 mol in |
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