CAS 622-80-0 Benzenamine, N-propyl- (HCID 12153)

Names & identifiers

Preferred name: Benzenamine, N-propyl-
IUPAC: N-propylaniline
English name: N-Propylaniline
Molecular formula: C9H13N
Molecular weight: 135.21

Names & synonyms

N-PROPYLANILINE622-80-0Benzenamine, N-propyl-PropylanilineEINECS 210-754-4AI3-08884DTXSID2060759RefChem:562005DTXCID4043274210-754-4Aniline, N-propyl-Aniline, N-n-propyl-

Show more names

SKL121N-Propylaniline>N-PropylbenzenamineN-Phenylpropylaminen-propyl-benzenaminPHENYL-PROPYL-AMINE

MFCD00048678phenyl(propyl)amineN-n-PropylanilineN-PropylbenzenamineN-propyl anilineN-propyl-anilineN-(n-Propyl)anilineKXB76C7PER

Database identifiers

CAS: 622-80-0
PubChem CID: 12153
DTXSID: DTXSID2060759
UNII: KXB76C7PER
EC Number: 210-754-4
Nikkaji: J1.221A

Properties

Computed structural properties

XLogP: 2.5
Topological polar surface area: 12 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 3
Heavy atoms: 10
Formal charge: 0
Complexity: 74.8

Experimental & physicochemical properties

SpringerMaterials PropertiesDiamagnetic susceptibility

LogP2.45

Physicochemical properties

Melting point: -6.87 °C · -6.87°C (estimate)
Boiling point: 220 °C · 220°C
Density: 0 · 0,95 g/cm3
refractive index: 1.541 to · 1.5410 to 1.5440
Flash point: 91 °C · 91°C
storage temp.: 2 · 2-8°C, protect from light
pka: 5.04 · 5.04±0.20(Predicted)
form: clear liquid
Specific Gravity: 0.942 · 0.942~0.949 (20/4℃)
color: White to Yellow to Green
CAS DataBase Reference: 622 · 622-80-0(CAS DataBase Reference)
NIST Chemistry Reference: N-Propylaniline(622-80-0)
EPA Substance Registry System: Benzenamine, N-propyl- (622-80-0)
Symbol(GHS): 7 · GHS07,GHS08
Signal word: Danger
Hazard statements: 302 · H302+H312+H332-H315-H319-H370-H372-H227
Precautionary statements: 501 · P501-P260-P270-P210-P271-P264-P280-P370+P378-P337+P313-P305+P351+P338-P308+P311-P362+P364-P332+P313-P301+P312+P330-P302+P352+P312-P304+P340+P312-P403+P235-P405
Risk Statements: 20 · 20/21/22-36/37/38
Safety Statements: 26 · 26-36/37/39
TSCA: TSCA listed
HS Code: 2921490090 · 2921490090

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P308+P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, 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.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

tsca: TSCA listed
hs_code: 2921490090
risk_code: 20/21/22-36/37/38
Signal word: Danger
Symbol(GHS): GHS07,GHS08
safety_code: 26-36/37/39
Hazard statements: H302+H312+H332-H315-H319-H370-H372-H227
Precautionary statements: P501-P260-P270-P210-P271-P264-P280-P370+P378-P337+P313-P305+P351+P338-P308+P311-P362+P364-P332+P313-P301+P312+P330-P302+P352+P312-P304+P340+P312-P403+P235-P405

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationBenzenamine, N-propyl-: INACTIVE

Preparation methods · 1 item

PreparationN-propylaniline was efficiently synthesized in a vapor phase from aniline and 1-propanol at atmospheric pressure over the Cu/SiO2 catalyst that was prepared by the incipient wetness method and temperature-programmed calcination. The catalyst exhibited very high activity and selectivity. At the reaction temperature of 260°C, 1-propanol conversion reached 100%, and the selectivity for N-propylaniline exceeded 92%. The results of X-ray diffraction showed that the Cu/SiO2 catalyst with high catalytic activity and selectivity had good crystallinity of copper.https://doi.org/10.1016/S1872-2067(07)60027-8