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1H-Benzimidazole-2-propanol

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Name

1H-Benzimidazole-2-propanol

EINECS 219-290-7
CAS No. 2403-66-9 Density 1.241 g/cm3
PSA 48.91000 LogP 1.48780
Solubility N/A Melting Point 164 °C
Formula C10H12N2O Boiling Point 442 °C at 760 mmHg
Molecular Weight 176.218 Flash Point 221.1 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 2403-66-9 (2-(3-HYDROXYPROPYL)BENZIMIDAZOLE) Hazard Symbols IrritantXi
Synonyms

2-Benzimidazolepropanol(7CI,8CI);3-(1H-Benzimidazol-2-yl)propan-1-ol;2-(3'-Hydroxypropyl)benzimidazole;2-(g-Hydroxypropyl)benzimidazole;NSC 62090;

Article Data 18

1H-Benzimidazole-2-propanol Specification

The 1H-Benzimidazole-2-propanol, with the CAS registry number 2403-66-9, is also known as 2-(3-Hydroxypropyl)benzimidazole. It belongs to the product categories of Benzimidazole; Imidazoles, Pyrroles, Pyrazoles, Pyrrolidines. Its EINECS registry number is 219-290-7. This chemical's molecular formula is C10H12N2O and molecular weight is 176.21508. Its IUPAC name is called 3-(1H-benzimidazol-2-yl)propan-1-ol.

Physical properties of 1H-Benzimidazole-2-propanol: (1)ACD/LogP: 1.25; (2)ACD/LogD (pH 5.5): 0.37; (3)ACD/LogD (pH 7.4): 1.21; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 4.83; (6)ACD/KOC (pH 5.5): 14.89; (7)ACD/KOC (pH 7.4): 105.03; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 4; (11)Index of Refraction: 1.659; (12)Molar Refractivity: 52.33 cm3; (13)Molar Volume: 141.9 cm3; (14)Surface Tension: 61.8 dyne/cm; (15)Density: 1.241 g/cm3; (16)Flash Point: 221.1 °C; (17)Enthalpy of Vaporization: 73.71 kJ/mol; (18)Boiling Point: 442 °C at 760 mmHg; (19)Vapour Pressure: 1.37E-08 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C2C(=C1)NC(=N2)CCCO
(2)InChI: InChI=1S/C10H12N2O/c13-7-3-6-10-11-8-4-1-2-5-9(8)12-10/h1-2,4-5,13H,3,6-7H2,(H,11,12)
(3)InChIKey: CQFSGSFSOWEIGO-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 180mg/kg (180mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#01133,

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