CAS 304646-59-1 N1-ethyl-4-trifluoromethanesulfonylbenzene-1,2-diamine (HCID 703518)

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Basic information

CAS: 304646-59-1
Standard SMILES: CCNc1ccc(S(=O)(=O)C(F)(F)F)cc1N
InChIKey: ZMFHNBBXTFOMNX-UHFFFAOYSA-N
Molecular formula: C9H11F3N2O2S
Average molar mass: 268.26 g/mol

Names & identifiers

Preferred name: N1-ethyl-4-trifluoromethanesulfonylbenzene-1,2-diamine
IUPAC: 1-N-ethyl-4-(trifluoromethylsulfonyl)benzene-1,2-diamine
English name: N1-ETHYL-4-TRIFLUOROMETHANESULFONYL-BENZENE-1,2-DIAMINE
Molecular formula: C9H11F3N2O2S
Molecular weight: 268.26

Names & synonyms

304646-59-1N1-ethyl-4-trifluoromethanesulfonylbenzene-1,2-diamineRefChem:831452991-380-5N1-Ethyl-4-[(trifluoromethyl)sulfonyl]-1,2-benzenediamineN1-Ethyl-4-trifluoromethanesulfonyl-benzene-1,2-diamine1-N-ethyl-4-(trifluoromethylsulfonyl)benzene-1,2-diamineN1-Ethyl-4-((trifluoromethyl)sulfonyl)benzene-1,2-diamineMFCD00651907N1-ethyl-4-[(trifluoromethyl)sulfonyl]benzene-1,2-diamineEnamine_000579SCHEMBL2356286

Show more names

N1-Ethyl-4-[(trifluoromethyl)sulfonyl]-2-amino-aniline1-N-ethyl-4-trifluoromethanesulfonylbenzene-1,2-diamine1,2-Benzenediamine, N1-ethyl-4-[(trifluoromethyl)sulfonyl]-

HMS1395K07STL262667AKOS000115435SY135823CS-0218862ST45175576EN300-02329G32329

Database identifiers

CAS: 304646-59-1

Properties

Computed structural properties

XLogP: 2
Topological polar surface area: 80.6 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 7
Rotatable bonds: 3
Heavy atoms: 17
Formal charge: 0
Complexity: 350

Physicochemical properties

Boiling point: 384.1 · 384.1±42.0 °C(Predicted)
Density: 1.443 · 1.443±0.06 g/cm3(Predicted)
pka: 3.87 · 3.87±0.11(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P301+P312-P302+P352-P304+P340-P305+P351+P338

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, P317, 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.