2-Amino-5-bromobenzenesulfonamide

HCID 820700

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Basic information

CAS: 54734-84-8
Standard SMILES: Nc1ccc(Br)cc1S(N)(=O)=O
InChIKey: BGILQOXCWMHWOM-UHFFFAOYSA-N
Molecular formula: C6H7BrN2O2S
Average molar mass: 251.1 g/mol
Monoisotopic mass: 249.94116

Names & identifiers

Preferred name: 2-Amino-5-bromobenzenesulfonamide
IUPAC: 2-amino-5-bromobenzenesulfonamide
English name: 2-Amino-5-bromobenzenesulfonamide
Molecular formula: C6H7BrN2O2S
Molecular weight: 251.1

Names & synonyms

2-amino-5-bromobenzenesulfonamide54734-84-8DTXSID00356231RefChem:255673DTXCID70307290637-228-02-Amino-5-bromobenzenesulphonamideMFCD034268352-amino-5-bromobenzene-1-sulfonamideAKOS010212633AT23123PS-4109

Show more names

4-Bromo-2-sulphamoylanilineBenzenesulfonamide, 2-amino-5-bromo-4-Bromo-2-sulphamoylaniline, 2-(Aminosulphonyl)-4-bromoaniline

2-Amino-5-bromobenzenesulfonamide, 97%EN300-272696SCHEMBL1522775SBB100892SY491281F843490

Database identifiers

CAS: 54734-84-8
PubChem CID: 820700
DTXSID: DTXSID00356231
EC Number: 637-228-0

Properties

Computed structural properties

XLogP: 0.9
Topological polar surface area: 94.6 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 12
Formal charge: 0
Complexity: 249

Physicochemical properties

Melting point: 170 · 170-176°C
Boiling point: 424.4 · 424.4±55.0 °C(Predicted)
Density: 1.834 · 1.834±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
pka: 10.02 · 10.02±0.60(Predicted)
form: solid
Appearance: Off-white to light yellow Solid
InChI: 1S/C6H7BrN2O2S/c7-4-1-2-5(8)6(3-4)12(9,10)11/h1-3H,8H2,(H2,9,10,11)
InChIKey: BGILQOXCWMHWOM-UHFFFAOYSA-N
SMILES: Nc1ccc(Br)cc1S(N)(=O)=O
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302
Precautionary statements: 264 · P264-P270-P301+P312-P501
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xi,Xn
Risk Statements: 22 · 22
WGK Germany: 3 · 3
HazardClass: IRRITANT
HS Code: 2935909099 · 2935909099
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 4 Oral · Acute Tox. 4 Oral

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H319 (97.6%): 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 41 reports by companies from 4 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.