2-(Propan-2-yl)benzene-1-sulfonyl chloride

HCID 12916482

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Basic information

CAS: 61738-47-4
Standard SMILES: CC(C)c1ccccc1S(=O)(=O)Cl
InChIKey: VHORYVBOBIUIDS-UHFFFAOYSA-N
Molecular formula: C9H11ClO2S
Average molar mass: 218.7 g/mol
Monoisotopic mass: 218.01682827

Names & identifiers

Preferred name: 2-(Propan-2-yl)benzene-1-sulfonyl chloride
IUPAC: 2-propan-2-ylbenzenesulfonyl chloride

Names & synonyms

2-(Propan-2-yl)benzene-1-sulfonyl chloride61738-47-4DTXSID30512883RefChem:254683DTXCID40463690887-125-12-Isopropylbenzenesulfonyl chloride2-propan-2-ylbenzenesulfonyl chlorideisopropylphenylsulfonyl chlorideSCHEMBL1415493VHORYVBOBIUIDS-UHFFFAOYSA-NLCA73847

Show more names

AKOS009145508AT126402-(Propan-2-yl)benzene-1-sulfonylchlorideDS-016440CS-0236542EN300-171757F654186

Database identifiers

CAS: 61738-47-4
PubChem CID: 12916482
DTXSID: DTXSID30512883
EC Number: 887-125-1

Properties

Computed structural properties

XLogP: 3.1
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: 253

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, 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.