CAS 223671-80-5 1,4-Dichloroisoquinoline-7-sulfonyl chloride (HCID 16658294)

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Basic information

CAS: 223671-80-5
Standard SMILES: O=S(=O)(Cl)c1ccc2c(Cl)cnc(Cl)c2c1
InChIKey: UVTOICZCRRXFKE-UHFFFAOYSA-N
Molecular formula: C9H4Cl3NO2S
Average molar mass: 296.6 g/mol
Monoisotopic mass: 294.90283241

Names & identifiers

Preferred name: 1,4-Dichloroisoquinoline-7-sulfonyl chloride
IUPAC: 1,4-dichloroisoquinoline-7-sulfonyl chloride
English name: 1,4-Dichloro-7-isoquinolinesulfonyl Chloride
Molecular formula: C9H4Cl3NO2S
Molecular weight: 296.56

Names & synonyms

223671-80-51,4-Dichloroisoquinoline-7-sulfonyl chloride1,4-DICHLORO-7-ISOQUINOLINESULFONYL CHLORIDE7-Isoquinolinesulfonyl chloride, 1,4-dichloro-MFCD131920207-Isoquinolinesulfonylchloride, 1,4-dichloro-1,4-dichloro-7-isoquinolinesulphonyl chloride1,4-Dichloroisoquinoline-7-sulfonylchlorideSCHEMBL6433525DTXSID70586543UVTOICZCRRXFKE-UHFFFAOYSA-NGS3101

Show more names

1,4-Dichloroisoquinoline-7-sulfonyl chloride - [D94539]

AKOS028114201AS-53534SY2449317-chlorosulphonyl-1,4-dichloroisoquinoline1,4-dichloro-7-isoquinolinyl sulphonylchloride1,4-dichloro-7-isoquinolinylsulphonyl chlorideP16633F534814

Database identifiers

CAS: 223671-80-5
PubChem CID: 16658294
DTXSID: DTXSID70586543

Properties

Computed structural properties

XLogP: 3.7
Topological polar surface area: 55.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 16
Formal charge: 0
Complexity: 356

Physicochemical properties

Melting point: 97 · 97-99°C
storage temp.: -20 °C · -20°C Freezer
solubility: Chloroform, DMSO
form: Solid
color: Off-White
Symbol(GHS): 5 · GHS05,GHS06
Signal word: Danger
Hazard statements: 301 · H301-H311-H314-H331
Precautionary statements: 260 · P260-P264-P270-P271-P280-P301+P330+P331-P302+P352-P303+P361+P353-P304+P340-P305+P351+P338-P310-P403+P233-P405-P501

Safety & regulation

Safety data

Signal word: Danger
Symbol(GHS): GHS05,GHS06
Hazard statements: H301-H311-H314-H331
Precautionary statements: P260-P264-P270-P271-P280-P301+P330+P331-P302+P352-P303+P361+P353-P304+P340-P305+P351+P338-P310-P403+P233-P405-P501