((2-Chloroethyl)sulphonyl)benzene

HCID 13646

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Basic information

CAS: 938-09-0
Standard SMILES: O=S(=O)(CCCl)c1ccccc1
InChIKey: NUJGORANFDSMOL-UHFFFAOYSA-N
Molecular formula: C8H9ClO2S
Average molar mass: 204.67 g/mol
Monoisotopic mass: 204.0011784

Names & identifiers

Preferred name: ((2-Chloroethyl)sulphonyl)benzene
IUPAC: 2-chloroethylsulfonylbenzene
English name: 2-CHLOROETHYL PHENYL SULFONE
Molecular formula: C8H9ClO2S
Molecular weight: 204.67

Names & synonyms

938-09-0[(2-Chloroethyl)sulfonyl]benzene((2-CHLOROETHYL)SULFONYL)BENZENE((2-Chloroethyl)sulphonyl)benzene[(2-Chloroethyl)sulphonyl]benzeneEINECS 213-337-5DTXSID60239652NSC 145234NSC 207409NSC 236821RefChem:389718DTXCID10162143

Show more names

sulfonyl]2-CHLOROETHYLPHENYLSULPHONEPhenyl 2-chloroethyl sulfonePhenyl(2-chloroethyl) sulfone(2-CHLOROETHYLSULFINYL)BENZENE2-Chloroethylphenylsulphone98%

213-337-52-Chloroethyl phenyl sulfone2-Chloroethylsulfonylbenzene(2-chloroethanesulfonyl)benzene(2-chloroethylsulfonyl)benzene2-Chloroethyl phenyl sulphoneMFCD00025047Sulfone, 2-chloroethyl phenyl

Database identifiers

CAS: 938-09-0
PubChem CID: 13646
DTXSID: DTXSID60239652
ChEMBL: CHEMBL288134
UNII: EVR4295G77
EC Number: 213-337-5
Nikkaji: J145.074C

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 42.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 12
Formal charge: 0
Complexity: 212

Physicochemical properties

Melting point: 55 · 55-57 °C(lit.)
Boiling point: 168 · 168-174 °C7 mm Hg(lit.)
Density: 1.286 · 1.286
Flash point: 168 · 168-174°C/7mm
storage temp.: 2 · Storage temp. 2-8°C
form: powder to crystal
color: White to Almost white
BRN: 1104341 · 1104341
CAS DataBase Reference: 938 · 938-09-0(CAS DataBase Reference)
FDA UNII: 4295 G77 · EVR4295G77
Symbol(GHS): 5 · GHS05,GHS07,GHS08
Signal word: Danger
Hazard statements: 318 · H318-H302+H312+H332-H314-H341
Precautionary statements: 201 · P201-P202-P260-P264-P270-P271-P280-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P308+P313-P405-P501-P260h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P501a
Hazard Codes: T,C
Risk Statements: 23 · 23/24/25
Safety Statements: 26 · 26-36/37/39-45
RIDADR: 3261 · UN 3261 8/PG 2
WGK Germany: 3 · 3
Hazard Note: Corrosive
HazardClass: 8 · 8
PackingGroup: III
HS Code: 2930909899 · 2930909899

Safety & regulation

Safety data

wgk: 3
ridadr: UN 3261 8/PG 2
hs_code: 2930909899
risk_code: 23/24/25
Signal word: Danger
Symbol(GHS): GHS05,GHS07,GHS08
hazard_code: T,C
hazard_note: Corrosive
safety_code: 26-36/37/39-45
hazard_class: 8
packing_group: III
Hazard statements: H318-H302+H312+H332-H314-H341
Precautionary statements: P201-P202-P260-P264-P270-P271-P280-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P308+P313-P405-P501-P260h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P501a