2-Benzimidazolepropanol

HCID 75470

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Basic information

CAS: 2403-66-9
Standard SMILES: OCCCc1nc2ccccc2[nH]1
InChIKey: CQFSGSFSOWEIGO-UHFFFAOYSA-N
Molecular formula: C10H12N2O
Average molar mass: 176.21 g/mol
Monoisotopic mass: 176.094963

Names & identifiers

Preferred name: 2-Benzimidazolepropanol
IUPAC: 3-(1H-benzimidazol-2-yl)propan-1-ol
English name: 2-(3-HYDROXYPROPYL)BENZIMIDAZOLE
Molecular formula: C10H12N2O
Molecular weight: 176.22

Names & synonyms

2-(3-Hydroxypropyl)benzimidazole2-Benzimidazolepropanol1H-Benzimidazole-2-propanol2-(3-Hydroxypropyl)-benzimidazole3-(2-Benzimidazolyl)propanol2-(Hydroxypropyl)-1H-benzimidazole8LZ4PT9DUUEINECS 219-290-7NSC 62090BRN 0131721NSC-620903-[2-Benzimidazolyl]propanol

Show more names

3-(1H-benzo[d]imidazol-2-yl)propan-1-olIFLAB-BB F0346-25512-(G-HYDROXYPROPYL)BENZIMIDAZOLE1H-Benzimidazole-2-(propan-1-ol)1H-Benzimidazole-2-propanol(9CI)

DTXSID401787775-23-11-00385 (Beilstein Handbook Reference)2-(.gamma.-Hydroxypropyl)benzimidazoleRefChem:85547DTXCID001012682-(gamma-Hydroxypropyl)benzimidazole1H-Benzimidazole-2-propanol (9CI)CQFSGSFSOWEIGO-UHFFFAOYSA-N

Database identifiers

CAS: 2403-66-9
PubChem CID: 75470
DTXSID: DTXSID40178777
ChEMBL: CHEMBL1714555
UNII: 8LZ4PT9DUU
EC Number: 219-290-7
Nikkaji: J41.302J

Properties

Computed structural properties

XLogP: 1.2
Topological polar surface area: 48.9 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 13
Formal charge: 0
Complexity: 163

Physicochemical properties

Melting point: 164 °C · 164 °C
Boiling point: 442 · 442.0±28.0 °C(Predicted)
Density: 1.241 · 1.241±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
form: powder to crystal
pka: 11.87 · 11.87±0.10(Predicted)
color: White to Brown
CAS DataBase Reference: 2403 · 2403-66-9(CAS DataBase Reference)
EWG's Food Scores: 1 · 1
FDA UNII: 8 LZ4PT9DUU · 8LZ4PT9DUU
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 312 · H312-H332-H302-H335-H315-H319
Precautionary statements: 264 · P264-P270-P301+P312-P330-P501-P261-P271-P304+P340-P312-P280-P302+P352-P312-P322-P363-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36/37/39
RTECS: 450000 · DE0450000
HazardClass: IRRITANT
HS Code: 2933998090 · 2933998090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

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

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, 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 CategoriesAcute Tox. 4 (100%)

Safety data

rtecs: DE0450000
hs_code: 2933998090
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: H312-H332-H302-H335-H315-H319
Precautionary statements: P264-P270-P301+P312-P330-P501-P261-P271-P304+P340-P312-P280-P302+P352-P312-P322-P363-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362