4-Chlorobenzenesulfonyl isocyanate (HCID 138587)

Names & identifiers

Preferred name: 4-Chlorobenzenesulfonyl isocyanate
IUPAC: 4-chloro-N-(oxomethylidene)benzenesulfonamide
English name: 4-Chlorobenzenesulfonyl isocyanate
Molecular formula: C7H4ClNO3S
Molecular weight: 217.63

Names & synonyms

4-Chlorobenzenesulfonyl isocyanatep-Chlorobenzenesulfonyl isocyanateDTXSID60206389RefChem:292104DTXCID10128880623-562-4JGHDVROWMPBQSR-UHFFFAOYSA-N5769-15-34-chloro-N-(oxomethylidene)benzenesulfonamideMFCD000099784-chlorobenzensulfonyl isocyanate(4-chlorophenyl)sulfonylisocyanate

Show more names

CPSl4-Chlorophenylsulfonyl isocyanate4-CHLOROBENZENESULPHONYL ISOCYANATE(4-Chlorophenylsulfonyl) isocyanate4-Chlorobenzenesulfonylisocyanate,97%4-CHLOROBENZENESULFONYL ISOCYANATE 97%4-Chlorobenzenesulphonyl isocyanate-97%

4-Chlorobenzenesulfonylisocyanate4-chlorobenzene-1-sulfonyl isocyanatep-chlorophenylsulfonylisocyanatep-chlorobenzenesulfonylisocyanateSCHEMBL1125078p-chlorophenylsulfonyl isocyanate4-chlorbenzenesulfonyl isocyanate4-chlorobenzene sulfonylisocyanate

Database identifiers

CAS: 5769-15-3
PubChem CID: 138587
DTXSID: DTXSID60206389
EC Number: 623-562-4
Nikkaji: J150.092I

Properties

Computed structural properties

XLogP: 2.9
Topological polar surface area: 72 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 2
Heavy atoms: 13
Formal charge: 0
Complexity: 307

Physicochemical properties

Boiling point: 121 °C/0.5 · 121 °C/0.5 mmHg (lit.)
Density: 1.457 g/mL · 1.457 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.558(lit.)
Flash point: 230 °F · >230 °F
storage temp.: Refrigerator (+4°C) + Flammables area
Sensitive: Moisture Sensitive
BRN: 516520 · 516520
InChI: 1S/C7H4ClNO3S/c8-6-1-3-7(4-2-6)13(11,12)9-5-10/h1-4H
InChIKey: JGHDVROWMPBQSR-UHFFFAOYSA-N
SMILES: Clc1ccc(cc1)S(=O)(=O)N=C=O
CAS DataBase Reference: 5769 · 5769-15-3(CAS DataBase Reference)
NIST Chemistry Reference: 4 · 4-Chlorobenzenesulfonyl isocyanate(5769-15-3)
UNSPSC Code: 12352100 · 12352100
Symbol(GHS): 5 · GHS05,GHS07
Signal word: Danger
Hazard statements: 302 · H302-H312-H314-H332
Precautionary statements: 280 · P280-P305+P351+P338-P310
PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
Hazard Codes: C
Risk Statements: 20 · 20/21/22-34-10
Safety Statements: 26 · 26-27-36/37/39-45-25-16
RIDADR: 3265 · UN 3265 8/PG 1
WGK Germany: 3 · 3
HazardClass: 8 · 8
PackingGroup: II
HS Code: 29350090 · 29350090
Storage Class: 8 A · 8A - Combustible corrosive hazardous materials
Hazard Classifications: 4 DermalAcute · Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Dam. 1Resp. Sens. 1Skin Corr. 1BSkin Sens. 1

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

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

P233, P260, P261, P264, P270, P271, P280, P284, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P342+P316, P362+P364, P363, P403, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
wgk: 3
ridadr: UN 3265 8/PG 1
hs_code: 29350090
risk_code: 20/21/22-34-10
Signal word: Danger
Symbol(GHS): GHS05,GHS07
hazard_code: C
safety_code: 26-27-36/37/39-45-25-16
hazard_class: 8
Storage Class: 8A - Combustible corrosive hazardous materials
packing_group: II
Hazard statements: H302-H312-H314-H332
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Dam. 1Resp. Sens. 1Skin Corr. 1BSkin Sens. 1
Precautionary statements: P280-P305+P351+P338-P310

Chemistry & industry

Applications · 3 items

Uses4-Chlorobenzenesulfonyl isocyanate is a useful intermediate for organic synthesis and other chemical processes.

Uses4-Chlorobenzenesulfonyl isocyanate may be used as starting reagent in the synthesis of 2-chloroethyl 4-chlorobenzenesulfonyl carbamate and 1-chloro-2-propyl 4-chlorobenzenesulfonyl carbamate.

General Description4-Chlorobenzenesulfonyl isocyanate is an isocyanate derivative.