CAS 703-12-8 4-bromo-N-methylbenzene-1-sulfonamide (HCID 101215)

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Basic information

CAS: 703-12-8
Standard SMILES: CNS(=O)(=O)c1ccc(Br)cc1
InChIKey: ZAHMEHGOFNLRQN-UHFFFAOYSA-N
Molecular formula: C7H8BrNO2S
Average molar mass: 250.12 g/mol
Monoisotopic mass: 248.9459116

Names & identifiers

Preferred name: 4-bromo-N-methylbenzene-1-sulfonamide
IUPAC: 4-bromo-N-methylbenzenesulfonamide
English name: 4-Bromo-N-methyl-benzenesulfonamide
Molecular formula: C7H8BrNO2S
Molecular weight: 250.11

Names & synonyms

4-BROMO-N-METHYLBENZENE-1-SULFONAMIDERefChem:520444992-339-4703-12-84-bromo-n-methylbenzenesulfonamideBenzenesulfonamide, p-bromo-N-methyl-4-Bromo-N-methylbenzenesulphonamideBenzenesulfonamide, 4-bromo-N-methyl-N-METHYL 4-BROMOBENZENESULFONAMIDEp-Bromo-N-methylbenzenesulfonamideMFCD009931624-BROMO-N-METHYL-BENZENESULFONAMIDE

Show more names

p-bromo-n-methyl-benzenesulfonamidBenzenesulfonaMide,4-broMo-N-Methyl-N-METHYL-4-BROMO BENZENE SULPHONAMIDE4-Bromo-N-methylbenzenesulphonamide98%4-Bromo-N-methylbenzenesulphonamide 98%

N-methyl-4-bromobenzenesulfonamideNSC-400647NSC 400647BRN 3261758NSC400647TUG23BX2CUSCHEMBL620156SCHEMBL2372305

Database identifiers

CAS: 703-12-8
PubChem CID: 101215
DTXSID: DTXSID20220566
UNII: TUG23BX2CU
EC Number: 992-339-4
Nikkaji: J62.169B

Properties

Computed structural properties

XLogP: 2
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: 226

Physicochemical properties

Melting point: 70 · 70-72
Boiling point: 330.3 · 330.3±44.0 °C(Predicted)
Density: 1.601 · 1.601±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
form: solid
pka: 11.1 · 11.10±0.30(Predicted)
color: white
FDA UNII: 23 BX2CU · TUG23BX2CU
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302
Precautionary statements: 264 · P264-P270-P301+P312-P330
Hazard Codes: Xi,Xn
Risk Statements: 22 · 22
Hazard Note: Irritant
HS Code: 2935909099 · 2935909099

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

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.