CAS 20443-75-8 4'-Nitrobiphenyl-4-sulfonyl chloride (HCID 2760185)

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Basic information

CAS: 20443-75-8
Standard SMILES: O=[N+]([O-])c1ccc(-c2ccc(S(=O)(=O)Cl)cc2)cc1
InChIKey: ITVYADZNMWHYOW-UHFFFAOYSA-N
Molecular formula: C12H8ClNO4S
Average molar mass: 297.71 g/mol
Monoisotopic mass: 296.98625642

Names & identifiers

Preferred name: 4'-Nitrobiphenyl-4-sulfonyl chloride
IUPAC: 4-(4-nitrophenyl)benzenesulfonyl chloride
English name: 4'-Nitro-biphenyl-4-sulfonyl chloride
Molecular formula: C12H8ClNO4S
Molecular weight: 297.71

Names & synonyms

4'-nitrobiphenyl-4-sulfonyl chloride20443-75-8DTXSID30375056RefChem:283462DTXCID503260854-(4-nitrophenyl)benzenesulfonyl Chloride4'-Nitro-biphenyl-4-sulfonyl chloride4'-Nitro-[1,1'-biphenyl]-4-sulfonyl chlorideSCHEMBL848452ITVYADZNMWHYOW-UHFFFAOYSA-N4'-nitro-1,1'-biphenyl-4-sulfonyl chloride4'-Nitro[1,1'-biphenyl]-4-sulfonyl chloride

Show more names

4-Nitro-4-Biphenyl sulfonyl chloride[1,1'-Biphenyl]-4-sulfonyl chloride, 4'-nitro-4′-Nitro-biphenyl-4-sulfonyl chloride, CAS 20443-75-8

Database identifiers

CAS: 20443-75-8
PubChem CID: 2760185
DTXSID: DTXSID30375056
EC Number: 673-509-4

Properties

Computed structural properties

XLogP: 3.4
Topological polar surface area: 88.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 2
Heavy atoms: 19
Formal charge: 0
Complexity: 412

Physicochemical properties

Boiling point: 447.8 · 447.8±28.0 °C(Predicted)
Density: 1.464 · 1.464±0.06 g/cm3(Predicted)
Symbol(GHS): 7 · GHS07,GHS05,GHS09
Signal word: Danger
Hazard statements: 335 · H335-H314-H302+H312+H332-H411
Precautionary statements: 260 · P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501
Hazard Codes: C,N
Risk Statements: 20 · 20/21/22-34-37-51/53
Safety Statements: 26 · 26-36/37/39-45-61

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302+H312+H332 (97.4%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

P260, P261, P264, P270, P271, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P362+P364, P363, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (97.4%)

Safety data

risk_code: 20/21/22-34-37-51/53
Signal word: Danger
Symbol(GHS): GHS07,GHS05,GHS09
hazard_code: C,N
safety_code: 26-36/37/39-45-61
Hazard statements: H335-H314-H302+H312+H332-H411
Precautionary statements: P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501