4-Amino-N-phenylbenzamide

HCID 69910

Notes Reactions

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Basic information

CAS: 782-45-6
Standard SMILES: Nc1ccc(C(=O)Nc2ccccc2)cc1
InChIKey: QHWDUJPWCGEBTH-UHFFFAOYSA-N
Molecular formula: C13H12N2O
Average molar mass: 212.25 g/mol
Monoisotopic mass: 212.09496301

Names & identifiers

Preferred name: 4-Amino-N-phenylbenzamide
IUPAC: 4-amino-N-phenylbenzamide
English name: 4-Aminobenzanilide
Molecular formula: C13H12N2O
Molecular weight: 212.25

Names & synonyms

4-Amino-N-phenylbenzamide782-45-6Benzamide, 4-amino-N-phenyl-EINECS 212-313-1BRN 2212452Benzamide, N-phenyl, 4-amino-DTXSID00999440NSC 50646RefChem:97826DTXCID9014264123-14-00-01062 (Beilstein Handbook Reference)QHWDUJPWCGEBTH-UHFFFAOYSA-N

Show more names

4-AMINOBENZOYLANILIDE4-Aminobenzanilide 95%4-Aminobenzanilide ,95%4-amino-n-phenyl-benzamid4-azanyl-N-phenyl-benzamideN-Benzoyl-1,4-phenylenediamine

Benzanilide, 4-amino-MFCD000171074-Amino-N-phenyl-benzamidep-AMINOBENZANILIDENSC50646WLN: ZR DVMR4-Aminobenzanilide, 95%Oprea1_436386

Database identifiers

CAS: 782-45-6
PubChem CID: 69910
DTXSID: DTXSID00999440
ChEMBL: CHEMBL277484
EC Number: 212-313-1
Nikkaji: J54.748D

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: 228

Physicochemical properties

Melting point: 127 · 127-131 °C(lit.)
Boiling point: 321.2 · 321.2±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: 14.36 · 14.36±0.70(Predicted)
Appearance: White to light brown Solid
InChI: 1S/C13H12N2O/c14-11-8-6-10(7-9-11)13(16)15-12-4-2-1-3-5-12/h1-9H,14H2,(H,15,16)
InChIKey: QHWDUJPWCGEBTH-UHFFFAOYSA-N
SMILES: Nc1ccc(cc1)C(=O)Nc2ccccc2
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H317-H319
Precautionary statements: 280 · P280-P305+P351+P338
PPE: 95 · dust mask type N95 (US), Eyeshields, Faceshields, Gloves
Hazard Codes: Xi
Risk Statements: 36 · 36/38-43
Safety Statements: 26 · 26-36
WGK Germany: 3 · 3
RTECS: 2335000 · CV2335000
HazardClass: IRRITANT
HS Code: 29242990 · 29242990
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2Skin Sens. 1

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P272, P280, P302+P352, P305+P351+P338, P321, P332+P317, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 68 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

PPE: dust mask type N95 (US), Eyeshields, Faceshields, Gloves
wgk: 3
rtecs: CV2335000
hs_code: 29242990
risk_code: 36/38-43
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-36
hazard_class: IRRITANT
Storage Class: 11 - Combustible Solids
Hazard statements: H315-H317-H319
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2Skin Sens. 1
Precautionary statements: P280-P305+P351+P338

Chemistry & industry

Upstream & downstream products

Upstream raw materials

Suppliers47 total

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

河南多贝化工有限公司0370-6999054 17550096163 · [email protected]

杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]

安徽勇晟医药科技有限公司3307 18017383231 · [email protected]

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

Related reactions

5 records

New reaction record

HRID 295633As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 1675215As reactantuspto-grants-2011_08

HRID 1824468As reactantuspto-grants-2006_05

HRID 1982279As reactantuspto-grants-1986_06

HRID 2123594As reactantTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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