N-(3-bromophenyl)methanesulfonamide

HCID 798932

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Basic information

CAS: 83922-51-4
Standard SMILES: CS(=O)(=O)Nc1cccc(Br)c1
InChIKey: DCAVLRMJGJXYMZ-UHFFFAOYSA-N
Molecular formula: C7H8BrNO2S
Average molar mass: 250.12 g/mol
Monoisotopic mass: 248.94591

Names & identifiers

Preferred name: N-(3-bromophenyl)methanesulfonamide
IUPAC: N-(3-bromophenyl)methanesulfonamide
English name: N-(3-Bromophenyl)methansulfonamide
Molecular formula: C7H8BrNO2S
Molecular weight: 250.11

Names & synonyms

N-(3-bromophenyl)methanesulfonamide83922-51-4DTXSID50355390RefChem:361266DTXCID20306450836-873-7MFCD01213915SCHEMBL2634842n-(3-bromophenyl) methanesulfonamideN-(3-Bromophenyl)-methanesulfonamideSTL137337AKOS000171936

Show more names

3-BROMO PHENYL METHANE SULPHONAMIDE

N-(3-Bromophenyl)methansulfonamide3-(methylsulfonyl)amino-1-bromo-benzeneSY077630EN300-69282F53217N-(3-Bromo-phenyl)-methanesulfonamideFT-0735727IDA92251

Database identifiers

CAS: 83922-51-4
PubChem CID: 798932
DTXSID: DTXSID50355390
EC Number: 836-873-7
Nikkaji: J2.106.409B

Properties

Computed structural properties

XLogP: 2.6
Topological polar surface area: 54.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 12
Formal charge: 0
Complexity: 234

Physicochemical properties

Boiling point: 330.7 · 330.7±44.0 °C(Predicted)
Density: 1.711 · 1.711±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
pka: 7.47 · 7.47±0.10(Predicted)
Appearance: White to gray Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
HS Code: 2935909099 · 2935909099

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

Safety data

hs_code: 2935909099
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319
Precautionary statements: P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313