| Identification | More | [Name]
1H-Benzimidazole-2-methanol | [CAS]
4856-97-7 | [Synonyms]
1H-BENZIMIDAZOL-2-YLMETHANOL
1H-BENZIMIDAZOLE-2-METHANOL
(1H-BENZOIMIDAZOL-2-YL)-METHANOL
2-BENZIMIDAZOLEMETHANOL
2-(HYDROXYMETHYL)-1H-BENZIMIDAZOLE
2-HYDROXYMETHYLBENZIMIDAZOLE
BENZIMIDAZOLE-2-METHANOL
IFLAB-BB F0266-0027
TIMTEC-BB SBB004085
1H-BENZIMIDAZOLE-2-METHANOL 97%
2-(Hydroxymethyl)-1H-benzimidazole 98%
1H-Benzimidazole-2-methanol(9CI)
2-Hydroxymethylbenzimidazole, HPLC 97%
2-HYDROXYBENXIMIDAZOLE
(2-Benzimidazolyl)methanol
2-Hydroxymethyl-1H-benzoimidazole | [EINECS(EC#)]
225-451-2 | [Molecular Formula]
C8H8N2O | [MDL Number]
MFCD00014560 | [Molecular Weight]
148.16 | [MOL File]
4856-97-7.mol |
| Chemical Properties | Back Directory | [Appearance]
Off-white to light brown crystalline powder | [Melting point ]
171-175 °C (lit.) | [Boiling point ]
268.75°C (rough estimate) | [density ]
1.1828 (rough estimate) | [refractive index ]
1.6000 (estimate) | [storage temp. ]
Sealed in dry,Room Temperature | [solubility ]
soluble in Methanol | [form ]
Crystalline Powder | [pka]
11.57±0.10(Predicted) | [color ]
Off-white to light brown | [InChI]
InChI=1S/C8H8N2O/c11-5-8-9-6-3-1-2-4-7(6)10-8/h1-4,11H,5H2,(H,9,10) | [InChIKey]
IAJLTMBBAVVMQO-UHFFFAOYSA-N | [SMILES]
C1(CO)NC2=CC=CC=C2N=1 | [CAS DataBase Reference]
4856-97-7(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
Xn,Xi | [Risk Statements ]
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S36/37:Wear suitable protective clothing and gloves . | [WGK Germany ]
3
| [Hazard Note ]
Irritant | [HazardClass ]
IRRITANT | [HS Code ]
29339900 |
| Hazard Information | Back Directory | [Chemical Properties]
Off-white to light brown crystalline powder | [Uses]
2-Benzimidazolemethanol was used in the preparation of 2-(chloromethyl)-1-(methylsulfonyl)benzimidazole via methanesulfonylation. It was also used in the synthesis of 1H-benzimidazol-2-ylmethyl diethyl phosphate. | [Synthesis]
The compound was prepared based on known methods with some modifications [19,20]. O-phenylenediamine (27 g, 0.25 mol) was dissolved in 500 mL of 4 M HCl, mixed with a solution of ethanoic acid (34.2 g, 0.45 mol) in 250 mL of 4 M HCl, stirred and heated under reflux conditions for 2 hours. Upon completion of the reaction, the reaction mixture was slowly cooled to room temperature and subsequently alkalized to pH neutral with aqueous sodium hydroxide. The precipitated solid was separated by filtration, dried and purified by recrystallization using hot water (Scheme 1). Product I was obtained: white to light brown powder, melting point 171-174 °C, yield 89.1%. | [References]
[1] Molecules, 2015, vol. 20, # 8, p. 15206 - 15223
[2] Bulletin of the Chemical Society of Ethiopia, 2014, vol. 28, # 3, p. 451 - 456
[3] Monatshefte fur Chemie, 2016, vol. 147, # 12, p. 2209 - 2220
[4] Patent: CN106905241, 2017, A. Location in patent: Paragraph 0127-0129
[5] Patent: CN107118249, 2017, A. Location in patent: Paragraph 0117; 0118; 0119 |
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