CAS 103-32-2 Benzylaniline (HCID 66028)

Overview

major metabolite of antazoline; RN given refers to parent cpd

Names & identifiers

Preferred name: Benzylaniline
IUPAC: N-benzylaniline
English name: N-Phenylbenzylamine
Molecular formula: C13H13N
Molecular weight: 183.25

Names & synonyms

N-Benzylaniline103-32-2N-PhenylbenzylamineBenzylanilinePhenylbenzylamineBenzenemethanamine, N-phenyl-BenzylphenylamineBenzylamine, N-phenyl-Benzenamine, N-(phenylmethyl)-N-benzylbenzenamineR1FVH9A316NSC-147284

Show more names

aminobenzophenoneBENZYL-PHENYL-AMINEN-BenzylphenylamineAURORA 4803PhenhenzamineA-TOLUYL CHLORIDEaniline,N-benzyl-

DTXSID7059272RefChem:566935DTXCID3032759203-100-4Aniline, N-benzyl-N-MonobenzylanilineN-benzyl anilineN-Phenylbenzenemethanamine

Database identifiers

CAS: 103-32-2
PubChem CID: 66028
DTXSID: DTXSID7059272
ChEMBL: CHEMBL237223
UNII: R1FVH9A316
EC Number: 203-100-4
Nikkaji: J5.015F

Properties

Computed structural properties

XLogP: 3.1
Topological polar surface area: 12 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 3
Heavy atoms: 14
Formal charge: 0
Complexity: 143

Experimental & physicochemical properties

PolymersNitrogen Compounds -> Amines, Polyaromatic

SpringerMaterials PropertiesBoiling point

Vapor Pressure0.000913 [mmHg]

Physical DescriptionSolid; mp = 37-38 deg C; [Merck Index] Yellow solidified mass or fragments; mp = 35-38 deg C; [Sigma-Aldrich MSDS]

Physicochemical properties

Melting point: 35 · 35-38 °C (lit.)
Boiling point: 306 · 306-307 °C (lit.)
Density: 1.061 g/mL · 1.061 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.5325(lit.)
Flash point: 217 °F · 217 °F
storage temp.: 30 °C · Store below +30°C.
solubility: alcohol: soluble
form: Crystalline Powder or Low Melting Mass
pka: 3.89 · 3.89±0.10(Predicted)
color: Colorless to yellow-beige
Specific Gravity: 1.061 · 1.061
Water Solubility: INSOLUBLE
Merck: 14 · 14,1126
InChI: 1S/C13H13N/c1-3-7-12(8-4-1)11-14-13-9-5-2-6-10-13/h1-10,14H,11H2
InChIKey: GTWJETSWSUWSEJ-UHFFFAOYSA-N
SMILES: C(Nc1ccccc1)c2ccccc2
CAS DataBase Reference: 103 · 103-32-2(CAS DataBase Reference)
FDA UNII: 1 FVH9A316 · R1FVH9A316
NIST Chemistry Reference: Benzenemethanamine, N-phenyl-(103-32-2)
EPA Substance Registry System: Benzenemethanamine, N-phenyl- (103-32-2)
UNSPSC Code: 12352116 · 12352116
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 280 · P280-P302+P352-P362+P364
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: C,Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-37/39
RIDADR: 2577 · UN 2577 8/PG 2
WGK Germany: 3 · 3
F: 21 · 21
TSCA: TSCA listed
HS Code: 29214980 · 29214980
Storage Class: 11 · 11 - Combustible Solids

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 47 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 2 items

Chemical: Benzenemethanamine, N-phenyl-

Benzenemethanamine, N-phenyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryA skin and strong eye irritant; [Sigma-Aldrich MSDS] See Diphenylamine and N-Ethyl-N-benzylaniline.

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

F: 21
PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
tsca: TSCA listed
ridadr: UN 2577 8/PG 2
hs_code: 29214980
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: C,Xi
safety_code: 26-37/39
Storage Class: 11 - Combustible Solids
Hazard statements: H315-H319-H335
Precautionary statements: P280-P302+P352-P362+P364

Chemistry & industry

Uses & manufacturing

UsesMajor metabolite of antazoline. [ChemIDplus]

General Manufacturing InformationBenzenemethanamine, N-phenyl-: ACTIVE

Applications · 3 items

UsesN-Benzylaniline is a major metabolite of the antihistaminic Antazoline and other N-substituted benzylanilines.

UsesN-Benzylaniline was used in the separation of tervalent gallium, indium and thallium by solvent extraction method.

General DescriptionThe electropolymerisation of N-benzylaniline at transparent Indium Tin Oxide glass electrodes has been investigated by UV-visible spectroelectrochemistry. N-Benzylaniline on electrochemical oxidation in aqueous sulfuric acid solution produces an adherent conducting polymer film at the platinum electrode.