2-Propyl-1H-benzimidazole

HCID 21624

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Basic information

CAS: 5465-29-2
Standard SMILES: CCCc1nc2ccccc2[nH]1
InChIKey: FBLJZPQLNMVEMR-UHFFFAOYSA-N
Molecular formula: C10H12N2
Average molar mass: 160.22 g/mol
Monoisotopic mass: 160.10004839

Names & identifiers

Preferred name: 2-Propyl-1H-benzimidazole
IUPAC: 2-propyl-1H-benzimidazole
English name: 2-Propylbenzimidazole
Molecular formula: C10H12N2
Molecular weight: 160.22

Names & synonyms

2-Propylbenzimidazole2-Propyl-1H-benzimidazole5465-29-21H-Benzimidazole, 2-propyl-BENZIMIDAZOLE, 2-PROPYL-ZAS7IXN9P8NSC-28962NSC-40172DTXSID30203108RefChem:1064587DTXCID901255992-propyl-1H-benzo[d]imidazole

Show more names

1H-Benzimidazole,2-propyl-(9CI)OMSTint-ABenzamide,4-(1,6-dimethylethyl)-2-Propyl-1H-benzo[d]imidazole CAS NO.5465-29-22-propylbenzIMIDAZOLE:2-propyl-1h-benzIMIDAZOLE

2-propyl-1H-1,3-benzodiazoleMFCD000874772-Propyl-1H-benzoimidazoleMLS000564234CHEMBL3485085-23-06-00498 (Beilstein Handbook Reference)STL168975Z55692902

Database identifiers

CAS: 5465-29-2
PubChem CID: 21624
DTXSID: DTXSID30203108
ChEMBL: CHEMBL348508
UNII: ZAS7IXN9P8
EC Number: 180-917-1
Nikkaji: J41.303H

Properties

Computed structural properties

XLogP: 2.5
Topological polar surface area: 28.7 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 12
Formal charge: 0
Complexity: 147

Physicochemical properties

Melting point: 152 · 152-153 °C
Boiling point: 220 °C · 220 °C
Density: 1.109 · 1.109±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
pka: 11.99 · 11.99±0.10(Predicted)
Appearance: White to off-white Solid
InChIKey: FBLJZPQLNMVEMR-UHFFFAOYSA-N
FDA UNII: 7 IXN9P8 · ZAS7IXN9P8
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
HazardClass: IRRITANT
HS Code: 2933998090 · 2933998090

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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.