2-Chloro-5-nitrobenzenesulfonyl chloride

HCID 20630

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Basic information

CAS: 4533-95-3
Standard SMILES: O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)Cl)c1
InChIKey: COZWQPZDKVIVFS-UHFFFAOYSA-N
Molecular formula: C6H3Cl2NO4S
Average molar mass: 256.06 g/mol
Monoisotopic mass: 254.91598394

Names & identifiers

Preferred name: 2-Chloro-5-nitrobenzenesulfonyl chloride
IUPAC: 2-chloro-5-nitrobenzenesulfonyl chloride
English name: 2-Chloro-5-nitro-benzenesulfonyl chloride
Molecular formula: C6H3Cl2NO4S
Molecular weight: 256.06

Names & synonyms

2-Chloro-5-nitrobenzenesulfonyl chloride4533-95-3Benzenesulfonyl chloride, 2-chloro-5-nitro-NSC 350627EINECS 224-873-4DTXSID1063510RefChem:86307DTXCID1040405COZWQPZDKVIVFS-UHFFFAOYSA-N2-Chloro-5-nitrobenzene-1-sulfonyl chloride2-Chloro-5-nitro-benzenesulfonyl chlorideMFCD00129813

Show more names

2-Chlor-5-nitrobenzolsulfonylchloridtianfu-chem-2-Chloro-5-nitro-benzenesulfonyl chloride,4533-95-3

2-CHLORO-5-NITROBENZENESULPHONYL CHLORIDE2-chloro-5-nitrobenzene-1-sulphonyl chlorideFDZ3GSM63Xchloro(2-chloro-5-nitrophenyl)sulfoneNSC-350627NSC 350627;2-chloro-5-nitrophenylsulfonyl chlorideUNII-FDZ3GSM63X

Database identifiers

CAS: 4533-95-3
PubChem CID: 20630
DTXSID: DTXSID1063510
UNII: FDZ3GSM63X
EC Number: 224-873-4
Nikkaji: J28.767I

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 88.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 14
Formal charge: 0
Complexity: 320

Physicochemical properties

Melting point: 88 · 88-90°C
Boiling point: 371.6 · 371.6±32.0 °C(Predicted)
Density: 1.708 · 1.708±0.06 g/cm3(Predicted)
storage temp.: 2 · Inert atmosphere,2-8°C
solubility: Dichloromethane, Ether, Ethyl Acetate
form: Solid
color: Off-White to Pale Yellow
CAS DataBase Reference: 4533 · 4533-95-3(CAS DataBase Reference)
FDA UNII: 3 GSM63X · FDZ3GSM63X
EPA Substance Registry System: 2 · Benzenesulfonyl chloride, 2-chloro-5-nitro- (4533-95-3)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319
Precautionary statements: 264 · P264-P270-P280-P301+P312+P330-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P501
RIDADR: 3261 · UN3261
TSCA: TSCA listed
HazardClass: 8 · 8
Limited Quantities: 1 Kg · 1 Kg (2.2 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 2 notifications to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Corr. 1B (100%)

Safety data

tsca: TSCA listed
ridadr: UN3261
Signal word: Warning
Symbol(GHS): GHS07
hazard_class: 8
Hazard statements: H302-H315-H319
Limited Quantities: 1 Kg (2.2 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
Precautionary statements: P264-P270-P280-P301+P312+P330-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P501