5-Chloro-4-nitrothiophene-2-sulfonyl chloride

HCID 2735783CAS 58457-24-2

Substructure search Find similar structures

Basic information

Standard SMILES: O=[N+]([O-])c1cc(S(=O)(=O)Cl)sc1Cl
InChIKey: SGHAHFHTASPNKN-UHFFFAOYSA-N
Molecular formula: C4HCl2NO4S2
Average molar mass: 262.1 g/mol
Monoisotopic mass: 260.87240487

Names & identifiers

Preferred name: 5-Chloro-4-nitrothiophene-2-sulfonyl chloride
IUPAC: 5-chloro-4-nitrothiophene-2-sulfonyl chloride
English name: 5-CHLORO-4-NITROTHIOPHENE-2-SULFONYL CHLORIDE
Molecular formula: C4HCl2NO4S2
Molecular weight: 262.09

Names & synonyms

5-chloro-4-nitrothiophene-2-sulfonyl chloride58457-24-2DTXSID10370943RefChem:302572DTXCID30321977670-635-1MFCD000679782-Chloro-3-nitrothiophene-5-sulfonyl chloride5-chloro-4-nitro-thiophene-2-sulfonyl Chloride5-chloro-4-nitrothiophene-2-sulfonylchloride5-Chloro-4-nitrothiophene-2-sulphonyl chloridechloro(5-chloro-4-nitro(2-thienyl))sulfone

Show more names

BUTTPARK 27\04-075-Chloro-4-nitro-2-thiophenesulfonyl chloride2-Chloro-5-(chlorosulphonyl)-3-nitrothiophene2-Thiophenesulfonylchloride, 5-chloro-4-nitro-2-CHLORO-3-NITROTHIOPHENE-5-SULPHONYL CHLORIDE5-Chloro-4-nitrothiophene-2-sulfonyl chloride ,98%

C4HCl2NO4S2SCHEMBL1938624SGHAHFHTASPNKN-UHFFFAOYSA-NSBB102500AKOS015849923CS-W004511PS-108252-chlorosulphonyl-4-nitro-5-chlorothiophene

Database identifiers

CAS: 58457-24-2
PubChem CID: 2735783
DTXSID: DTXSID10370943
EC Number: 670-635-1

Properties

Computed structural properties

XLogP: 2.7
Topological polar surface area: 117 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 1
Heavy atoms: 13
Formal charge: 0
Complexity: 307

Physicochemical properties

Melting point: 51 °C · 51 °C
Boiling point: 398.4 · 398.4±42.0 °C(Predicted)
Density: 1.88 · 1.880
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
Sensitive: Moisture Sensitive
CAS DataBase Reference: 58457 · 58457-24-2(CAS DataBase Reference)
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 314 · H314
Precautionary statements: 280 · P280-P309+P311
Hazard Codes: C,Xi
Risk Statements: 34 · 34
Safety Statements: 26 · 26-36/37/39-45
RIDADR: 3096 · UN3096
Hazard Note: Corrosive
HazardClass: 8 · 8
PackingGroup: II
HS Code: 29349990 · 29349990
Limited Quantities: 5 L · 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)

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 6 reports by companies from 2 notifications to the ECHA C&L Inventory.

Hazard information

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

Safety data

ridadr: UN3096
hs_code: 29349990
risk_code: 34
Signal word: Danger
Symbol(GHS): GHS05
hazard_code: C,Xi
hazard_note: Corrosive
safety_code: 26-36/37/39-45
hazard_class: 8
packing_group: II
Hazard statements: H314
Limited Quantities: 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Precautionary statements: P280-P309+P311