1-Chloro-4-((2-chloroethyl)sulphonyl)benzene
Basic information
- CAS
16191-84-7- Standard SMILES
O=S(=O)(CCCl)c1ccc(Cl)cc1- InChIKey
KXQHTLXSDBXWNB-UHFFFAOYSA-N- Molecular formula
- C8H8Cl2O2S
- Average molar mass
- 239.12 g/mol
- Monoisotopic mass
- 237.9622061
Names & identifiers
- Preferred name
- 1-Chloro-4-((2-chloroethyl)sulphonyl)benzene
- IUPAC
- 1-chloro-4-(2-chloroethylsulfonyl)benzene
- English name
- 2-CHLOROETHYL 4-CHLOROPHENYL SULFONE
- Molecular formula
- C8H8Cl2O2S
- Molecular weight
- 239.12
Names & synonyms
1-Chloro-4-((2-chloroethyl)sulphonyl)benzene1-chloro-4-[(2-chloroethyl)sulphonyl]benzeneRefChem:431362240-323-616191-84-72-Chloroethyl 4-chlorophenyl sulfone1-Chloro-4-((2-chloroethyl)sulfonyl)benzene1-chloro-4-(2-chloroethylsulfonyl)benzeneSULFONE, 2-CHLOROETHYL p-CHLOROPHENYLp-Chlorophenyl 2-chloroethyl sulfone1-Chloro-4-[(2-chloroethyl)sulfonyl]benzeneMFCD00018966
Show more names
sulfone,2-chloroethylp-chlorophenylp-Chlorophenyl-β-chloroethyl sulfone2-Chloroethyl4-ChlorophenylSulfone>2-Chloroethyl (4-chlorophenyl)sulphone2-CHLOROETHYL 4-CHLOROPHENYL SULFONE 95+%
Benzene, 1-chloro-4-((2-chloroethyl)sulfonyl)-Benzene, 1-chloro-4-[(2-chloroethyl)sulfonyl]-NSC-1961851-chloro-4-(2-chloroethanesulfonyl)benzeneEINECS 240-323-6NSC 196185BRN 22696282-CHLOROETHYL-P-CHLOROPHENYL SULFONE
Database identifiers
- CAS
16191-84-7- PubChem CID
- 27745
- DTXSID
DTXSID70167275- UNII
- 77XFY6CPD8
- EC Number
- 240-323-6
- Nikkaji
- J15.575F
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 42.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 237
Physicochemical properties
- Melting point
- 96 °C · 96°C
- storage temp.
- Sealed in dry,Room Temperature
- form
- powder to crystal
- color
- White to Almost white
- CAS DataBase Reference
- 16191 · 16191-84-7
- FDA UNII
- 77 XFY6CPD8 · 77XFY6CPD8
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312+P330-P501
- Safety Statements
- 22 · 22-24/25
- RTECS
- 5350000 · WR5350000
- HS Code
- 2930.9 · 2930.90.2900
- Toxicity
- 50 · mouse,LD50,intravenous,100mg/kg (100mg/kg),U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#02708,
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (97.5%)
Safety data
- rtecs
- WR5350000
- hs_code
- 2930.90.2900
- Toxicity
- mouse,LD50,intravenous,100mg/kg (100mg/kg),U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#02708,
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 22-24/25
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312+P330-P501
Suppliers
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Related reactions
1 records
Compound notes
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