N-(2-nitrophenyl)methanesulfonamide

HCID 296454

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Basic information

CAS: 85150-03-4
Standard SMILES: CS(=O)(=O)Nc1ccccc1[N+](=O)[O-]
InChIKey: WFRCGQPFZHHIDL-UHFFFAOYSA-N
Molecular formula: C7H8N2O4S
Average molar mass: 216.22 g/mol
Monoisotopic mass: 216.02047791

Names & identifiers

Preferred name: N-(2-nitrophenyl)methanesulfonamide
IUPAC: N-(2-nitrophenyl)methanesulfonamide
English name: N-(2-Nitrophenyl)MethanesulfonaMide
Molecular formula: C7H8N2O4S
Molecular weight: 216.21

Names & synonyms

N-(2-nitrophenyl)methanesulfonamideDTXSID70304643RefChem:825665DTXCID40255774662-885-585150-03-4MFCD00464153NSC166614SCHEMBL1039965SCHEMBL4506186SCHEMBL29709934WFRCGQPFZHHIDL-UHFFFAOYSA-N

Show more names

Methanesulfonamide,N-(2-nitrophenyl)-

AC6943AKOS003853028NSC-166614SB77090BS-29606SY016706DB-021430CS-0206934

Database identifiers

CAS: 85150-03-4
PubChem CID: 296454
DTXSID: DTXSID70304643
EC Number: 662-885-5
Nikkaji: J1.127.753E

Properties

Computed structural properties

XLogP: 1.2
Topological polar surface area: 100 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 2
Heavy atoms: 14
Formal charge: 0
Complexity: 303

Physicochemical properties

Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 319 · H319-H302
Precautionary statements: 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Eye Irrit. 2 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H319-H302
Precautionary statements: P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501