4091-39-8

Name 3-Chloro-2-butanone
CAS 4091-39-8
EINECS(EC#) 223-834-9
Molecular Formula C4H7ClO
MDL Number MFCD00000865
Molecular Weight 106.55
MOL File 4091-39-8.mol
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Chemical Properties

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)
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Safety Data

Symbol(GHS)  Flame (GHS02)Exclamation Mark (GHS07)
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

Material Safety Data Sheet(MSDS)

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