CAS 6973-09-7 5-Amino-2-methylbenzenesulfonamide (HCID 235511)

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Basic information

CAS: 6973-09-7
Standard SMILES: Cc1ccc(N)cc1S(N)(=O)=O
InChIKey: KTPBKMYOIFHJMI-UHFFFAOYSA-N
Molecular formula: C7H10N2O2S
Average molar mass: 186.23 g/mol
Monoisotopic mass: 186.04629856

Names & identifiers

Preferred name: 5-Amino-2-methylbenzenesulfonamide
IUPAC: 5-amino-2-methylbenzenesulfonamide
English name: 5-Amino-2-methylbenzenesulfonamide
Molecular formula: C7H10N2O2S
Molecular weight: 186.23

Names & synonyms

5-amino-2-methylbenzenesulfonamide6973-09-7DTXSID40284367RefChem:101938DTXCID60235518691-180-53-Amino-6-methylbenzenesulfonamide5-amino-2-methylbenzene-1-sulfonamide2-methyl-5-aminobenzene sulfonamideMFCD06681071Benzenesulfonamide, 5-amino-2-methyl-5-amino-2-methyl-benzenesulfonamide

Show more names

6973/9/7methyl 2,4-difluoro-5-nitrobenzoate(2Z)-2-[(3R,4S,5S,8S,9S,10S,11R,13R,14S,16S)-16-acetyloxy-3,11-dihydroxy-4,8,10,14-tetramethyl-2,3,4,5,6,7,9,11,12,13,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ylidene]-6-methylhept-5-enoic acidPAZ70Compound FL0144Pazopanib Impurity 445-Amino-2-Methylsulfonamide

p-Aminotoluol-sulfonamidNSC369693-amino-6-methyl-benzenesulfonamideNSC-36969AKOS000123046PB18742SY003683F9995-0234

Database identifiers

CAS: 6973-09-7
PubChem CID: 235511
DTXSID: DTXSID40284367
UNII: 9T9UQY39RW
EC Number: 691-180-5
Nikkaji: J2.596.122F

Properties

Computed structural properties

XLogP: 0.2
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: 245

Physicochemical properties

Melting point: 163 · 163-164℃
Boiling point: 421.5 · 421.5±55.0 °C(Predicted)
Density: 1.359 · 1.359±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
solubility: DMSO (Slightly), Methanol (Slightly)
pka: 10.43 · 10.43±0.60(Predicted)
form: Solid
color: Pale Beige
Stability: Hygroscopic
InChI: InChI=1S/C7H10N2O2S/c1-5-2-3-6(8)4-7(5)12(9,10)11/h2-4H,8H2,1H3,(H2,9,10,11)
InChIKey: KTPBKMYOIFHJMI-UHFFFAOYSA-N
SMILES: C1(S(N)(=O)=O)=CC(N)=CC=C1C
CAS DataBase Reference: 6973 · 6973-09-7(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 50% (6 of 12) of reports.

Warning

H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]

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

Aggregated GHS information provided per 12 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationStatus: Active Update: 26-11-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/31396

Hazard Classes and CategoriesSkin Irrit. 2 (50%)

Safety data

hs_code: 2935.90.9500
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H335-H315-H319
REACH Registrations: Active
Precautionary statements: P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P261-P280a-P304+P340-P305+P351+P338-P405-P501a

Chemistry & industry

Applications

Uses5-Amino-2-methylbenzenesulfonamide is an intermediate for the synthesis of Pazopanib (P210925), an oral angiogenesis inhibitor targeting VEGFR and PDGFR.