Benzamide, N-(3-aminophenyl)-

HCID 72896

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Basic information

CAS: 16091-26-2
Standard SMILES: Nc1cccc(NC(=O)c2ccccc2)c1
InChIKey: IRFCTHNJIWUUJZ-UHFFFAOYSA-N
Molecular formula: C13H12N2O
Average molar mass: 212.25 g/mol
Monoisotopic mass: 212.094963

Names & identifiers

Preferred name: Benzamide, N-(3-aminophenyl)-
IUPAC: N-(3-aminophenyl)benzamide
English name: 3'-Aminobenzanilide
Molecular formula: C13H12N2O
Molecular weight: 212.25

Names & synonyms

3'-Aminobenzanilide16091-26-2Benzamide, N-(3-aminophenyl)-EINECS 240-254-1DTXSID3066009RefChem:561537DTXCID8035182240-254-1N-(3-aminophenyl)benzamideMFCD000717503/'-Aminobenzanilidem-benzoylaminoaniline

Show more names

AKOS BB-81463-AMINOBENZANILIDE3-BenzamidoanilineART-CHEM-BB B0251923-BenzoylaminoanilinemetaAmino Benzanilide

3-(Aminophenyl)benzamideBenzamide,3-amino-N-phenyl-3\'-AminobenzanilideN-Benzoyl-m-phenylendiaminn-(3-aminophenyl)-benzamidASISCHEM B52474Oprea1_825760M-BENZOYLAMINO ANILINE

Database identifiers

CAS: 16091-26-2
PubChem CID: 72896
DTXSID: DTXSID3066009
EC Number: 240-254-1
Nikkaji: J62.897B

Properties

Computed structural properties

XLogP: 1.9
Topological polar surface area: 55.1 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 16
Formal charge: 0
Complexity: 236

Physicochemical properties

Melting point: 124 · 124-125°C
Boiling point: 308.3 · 308.3±25.0 °C(Predicted)
Density: 1.244 · 1.244±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
pka: 13.22 · 13.22±0.70(Predicted)
Appearance: Light yellow to yellow Solid
CAS DataBase Reference: 16091 · 16091-26-2(CAS DataBase Reference)
NIST Chemistry Reference: M-aminobenzanilide(16091-26-2)
EPA Substance Registry System: Benzamide, N-(3-aminophenyl)- (16091-26-2)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P264b-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P330-P362+P364-P403+P233-P501c
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36/37/39
TSCA: TSCA listed
HazardClass: IRRITANT

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

tsca: TSCA listed
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-36/37/39
hazard_class: IRRITANT
Hazard statements: H302-H315-H319-H335
Precautionary statements: P261-P264b-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P330-P362+P364-P403+P233-P501c