CAS 409359-25-7 5-Cyano-2-methoxybenzene-1-sulfonyl chloride (HCID 11528751)

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Basic information

CAS: 409359-25-7
Standard SMILES: COc1ccc(C#N)cc1S(=O)(=O)Cl
InChIKey: MSZFGLJXUUVBRF-UHFFFAOYSA-N
Molecular formula: C8H6ClNO3S
Average molar mass: 231.66 g/mol

Names & identifiers

Preferred name: 5-Cyano-2-methoxybenzene-1-sulfonyl chloride
IUPAC: 5-cyano-2-methoxybenzenesulfonyl chloride
English name: 5-Cyano-2-Methoxybenzenesulfonyl chloride
Molecular formula: C8H6ClNO3S
Molecular weight: 231.66

Names & synonyms

409359-25-75-cyano-2-methoxybenzene-1-sulfonyl chlorideRefChem:535054877-635-25-cyano-2-methoxybenzenesulfonyl chloride5-cyano-2-methoxy-benzenesulfonyl ChlorideMFCD10485860SCHEMBL1941882MSZFGLJXUUVBRF-UHFFFAOYSA-NJRA35925AKOS006333635AS-6369

Show more names

Benzenesulfonyl chloride, 5-cyano-2-methoxy-

5-cyano-2-methoxybenzensulfonyl chloride5-cyano-2-methoxybenzene-sulfonyl chlorideDB-340847G42299EN300-23330137F511225

Database identifiers

CAS: 409359-25-7
PubChem CID: 11528751
EC Number: 877-635-2

Properties

Computed structural properties

XLogP: 1.6
Topological polar surface area: 75.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 2
Heavy atoms: 14
Formal charge: 0
Complexity: 339

Physicochemical properties

Boiling point: 390.6 · 390.6±32.0 °C(Predicted)
Density: 1.5 · 1.50±0.1 g/cm3(Predicted)
Symbol(GHS): 7 · GHS07,GHS05
Signal word: Danger
Hazard statements: 335 · H335-H312-H332-H314-H302
Precautionary statements: 280 · P280-P302+P352-P312-P322-P363-P501-P261-P271-P304+P340-P312-P264-P270-P301+P312-P330-P501-P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501

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+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P362+P364, 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.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

Signal word: Danger
Symbol(GHS): GHS07,GHS05
Hazard statements: H335-H312-H332-H314-H302
Precautionary statements: P280-P302+P352-P312-P322-P363-P501-P261-P271-P304+P340-P312-P264-P270-P301+P312-P330-P501-P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501