1H-Imidazole-2-methanol,hydrochloride (1:1) supplier

Name
1H-IMIDAZOL-2-YLMETHANOL HYDROCHLORIDE
EINECS
CAS No. 116177-22-1
Density 1.311 g/cm³
Solubility
Melting Point 118-120 °C
Formula C₄H₆N₂O.ClH
Boiling Point 388.1 °C at 760 mmHg
Molecular Weight 134.565
Flash Point 188.5 °C
Transport Information
Appearance
Safety 26-39
Risk Codes Xi:Irritant;
Molecular Structure
Hazard Symbols Xi
Synonyms 1H-Imidazole-2-methanol,monohydrochloride (9CI);
PSA 48.91000
LogP 0.70400

1H-Imidazole-2-methanol,hydrochloride (1:1) Specification

The 1H-Imidazole-2-methanol,hydrochloride (1:1), with its CAS registry number 116177-22-1, has the systematic name of 1H-imidazol-2-ylmethanol hydrochloride. With the molecular foumula of C₄H₇ClN₂O, its formula weight is 134.56. When you are dealing with it, you should be careful. This chemical is irritant which may cause inflammation to the skin or other mucous membranes.

The characteristics of 1H-Imidazole-2-methanol,hydrochloride (1:1) are as follows: (1)ACD/LogP: -1.17; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.72; (4)ACD/LogD (pH 7.4): -1.34; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 3.71; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 27.05 Å²; (13)Flash Point: 188.5 °C; (14)Enthalpy of Vaporization: 67.21 kJ/mol; (15)Boiling Point: 388.1 °C at 760 mmHg; (16)Vapour Pressure: 1.02E-06 mmHg at 25°C.

What's more, the following datas could be converted into the molecular structure:
(1)SMILES:Cl.OCc1nccn1
(2)InChI:InChI=1/C4H6N2O.ClH/c7-3-4-5-1-2-6-4;/h1-2,7H,3H2,(H,5,6);1H
(3)InChIKey:FEORNCWZOSTSRO-UHFFFAOYAB
(4)Std. InChI:InChI=1S/C4H6N2O.ClH/c7-3-4-5-1-2-6-4;/h1-2,7H,3H2,(H,5,6);1H
(5)Std. InChIKey:FEORNCWZOSTSRO-UHFFFAOYSA-N

Product Name

1H-IMIDAZOL-2-YLMETHANOL HYDROCHLORIDE

1H-Imidazole-2-methanol,hydrochloride (1:1) Specification

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