CAS 6752-38-1 p-Isocyanatobenzenesulphonyl chloride (HCID 81230)

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Basic information

CAS: 6752-38-1
Standard SMILES: O=C=Nc1ccc(S(=O)(=O)Cl)cc1
InChIKey: PUXGCFRABSKGED-UHFFFAOYSA-N
Molecular formula: C7H4ClNO3S
Average molar mass: 217.633 g/mol
Monoisotopic mass: 216.96004167

Names & identifiers

Preferred name: p-Isocyanatobenzenesulphonyl chloride
IUPAC: 4-Isocyanatobenzene-1-sulfonyl chloride
English name: 4-(CHLOROSULFONYL)PHENYL ISOCYANATE
Molecular formula: C7H4ClNO3S
Molecular weight: 217.63

Names & synonyms

Einecs 229-812-54-(CHLOROSULFONYL)PHENYL ISOCYANATE4-ISOCYANATOBENZENE-SULFONYL CHLORIDEp-isocyanatobenzenesulphonyl chloride4-isocyanatobenzene-1-sulfonyl chlorideBenzenesulfonyl chloride, 4-isocyanato-4-Isocyanatobenzenesulfonic acid chloride

Database identifiers

CAS: 6752-38-1
PubChem CID: 81230
DTXSID: DTXSID50217863
EC Number: 229-812-5
Nikkaji: J298.099A

Properties

Physicochemical properties

Melting point: 55 · 55-58 °C (lit.)
Boiling point: 130 °C/1 · 130 °C/1 mmHg (lit.)
Density: 1.3864 · 1.3864 (rough estimate)
refractive index: 1.6 · 1.6000 (estimate)
InChI: 1S/C7H4ClNO3S/c8-13(11,12)7-3-1-6(2-4-7)9-5-10/h1-4H
InChIKey: PUXGCFRABSKGED-UHFFFAOYSA-N
SMILES: ClS(=O)(=O)c1ccc(cc1)N=C=O
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 5 · GHS05,GHS07,GHS08
Signal word: Danger
Hazard statements: 314 · H314-H317-H334-H335
Precautionary statements: 260 · P260-P271-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338
target organs: Respiratory system
PPE: 3 · Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
Hazard Codes: C
Risk Statements: 34 · 34-36/37-42/43
Safety Statements: 26 · 26-27-28-36/37/39-45
RIDADR: 3261 · UN 3261 8/PG 2
WGK Germany: 3 · 3
HazardClass: 8 · 8
PackingGroup: III
HS Code: 2929100090 · 2929100090
Storage Class: 8 B · 8B - Non-combustible corrosive hazardous materials

Safety & regulation

Safety data

PPE: Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
wgk: 3
ridadr: UN 3261 8/PG 2
hs_code: 2929100090
risk_code: 34-36/37-42/43
Signal word: Danger
Symbol(GHS): GHS05,GHS07,GHS08
hazard_code: C
safety_code: 26-27-28-36/37/39-45
hazard_class: 8
Storage Class: 8B - Non-combustible corrosive hazardous materials
packing_group: III
target organs: Respiratory system
Hazard statements: H314-H317-H334-H335
Limited Quantities: 100ml (liquid) or 0.5 Kg (solid)
Excepted Quantities: Max Inner Pack (1g or 1ml) and Max Outer Pack (500g or 500ml)
Hazard Classifications: Eye Dam. 1Resp. Sens. 1Skin Corr. 1BSkin Sens. 1STOT SE 3
Precautionary statements: P260-P271-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338