CAS 52147-98-5 (E)-2-(4-chlorophenyl)ethene-1-sulfonyl chloride (HCID 5938154)

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Basic information

CAS: 52147-98-5
Standard SMILES: O=S(=O)(Cl)/C=C/c1ccc(Cl)cc1
InChIKey: HVBRPCXLQIUQLT-AATRIKPKSA-N
Molecular formula: C8H6Cl2O2S
Average molar mass: 237.1 g/mol
Monoisotopic mass: 235.94655579

Names & identifiers

Preferred name: (E)-2-(4-chlorophenyl)ethene-1-sulfonyl chloride
IUPAC: (E)-2-(4-chlorophenyl)ethenesulfonyl chloride
English name: (E)-2-(4-Chlorophenyl)ethylenesulfonyl chloride
Molecular formula: C8H6Cl2O2S
Molecular weight: 237.1

Names & synonyms

(E)-2-(4-chlorophenyl)ethene-1-sulfonyl chlorideRefChem:406270959-967-052147-98-5(E)-2-(4-chlorophenyl)ethenesulfonyl chloride(E)-2-(4-chlorophenyl)ethylenesulfonyl chloride2-(4-chlorophenyl)ethene-1-sulfonyl chloride2-(4-chlorophenyl)ethylenesulfonyl chlorideSCHEMBL950718F1967-0642DTXSID30421401HVBRPCXLQIUQLT-AATRIKPKSA-N

Show more names

Ethenesulfonyl chloride, 2-(4-chlorophenyl)-, (1E)-

55978-58-0(E)-4-chlorostyrylsulfonyl chloride(E)-4-chlorostyrylsulphonyl chlorideAKOS0001185972-(4-chlorophenyl)ethene-1-sulfonylchlorideEN300-10646H95226EN300-1265745

Database identifiers

CAS: 52147-98-5
PubChem CID: 5938154
DTXSID: DTXSID30421401
EC Number: 959-967-0
Nikkaji: J1.571.145K

Properties

Computed structural properties

XLogP: 3
Topological polar surface area: 42.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 13
Formal charge: 0
Complexity: 271

Physicochemical properties

Boiling point: 361.4 · 361.4±34.0 °C(Predicted)
Density: 1.498 · 1.498±0.06 g/cm3(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 280 · P280-P305+P351+P338

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.