80-00-2

Name Sulfenone
CAS 80-00-2
EINECS(EC#) 201-242-1
Molecular Formula C12H9ClO2S
MDL Number MFCD00007549
Molecular Weight 252.72
MOL File 80-00-2.mol
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Chemical Properties

Appearance solid
Melting point  90-94 °C(lit.)
Boiling point  389 °C / 719mmHg
density  1.3319 (estimate)
storage temp.  -20°C Freezer, Under inert atmosphere
solubility  acetone: soluble74.4 g/100ml at 20°C(lit.)
form  Solid
color  White to Off-White
Stability: Stable. Incompatible with strong oxidizing agents.
Merck  14,8988
InChI 1S/C12H9ClO2S/c13-10-6-8-12(9-7-10)16(14,15)11-4-2-1-3-5-11/h1-9H
InChIKey OFCFYWOKHPOXKF-UHFFFAOYSA-N
SMILES Clc1ccc(cc1)S(=O)(=O)c2ccccc2
CAS DataBase Reference 80-00-2(CAS DataBase Reference)
NIST Chemistry Reference Benzene, 1-chloro-4-(phenylsulfonyl)-(80-00-2)
EPA Substance Registry System 80-00-2(EPA Substance)

Safety Data

Hazard Codes  Xn
Risk Statements 
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
Safety Statements 
S36:Wear suitable protective clothing .
WGK Germany  3
RTECS  WR5775000
TSCA  Yes
HS Code  2930909899
Storage Class 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Dermal
Acute Tox. 4 Inhalation
Acute Tox. 4 Oral
Hazardous Substances Data 80-00-2(Hazardous Substances Data)
Toxicity
LD50 orally in mice: 2.7 g/kg (Hazleton)

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Hazard Information

Material Safety Data Sheet(MSDS)

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