| Identification | More | [Name]
2-Chloromethylbenzimidazole | [CAS]
4857-04-9 | [Synonyms]
2-(CHLOROMETHYL)-1H-1,3-BENZIMIDAZOLE
2-(CHLOROMETHYL)-1H-BENZIMIDAZOLE
2-CHLOROMETHYL-1H-BENZOIMIDAZOLE
2-(CHLOROMETHYL)BENZIMIDAZOLE
AKOS BBS-00003999
ASINEX-REAG BAS 05306272
TIMTEC-BB SBB001845
CHLOROMETHYLBENZIMIDAZOLE
1H-Benzimidazole, 2-(chloromethyl)-
2-(Chloromethyl)-1H-benzimidazole 97%
1H-Benzimidazole,2-(chloromethyl)-(9CI)
2-(CHLOROMETHYL)BENZIMIDAZOLE (BULK)
2-CHLOROMETHYLBENZIMIDAZOLE, HPLC 96.0% YELLOW CRYSTALS
2-CHLORO METHYL BENZIMIDAZOLE 99 % G.C | [EINECS(EC#)]
225-452-8 | [Molecular Formula]
C8H7ClN2 | [MDL Number]
MFCD00005602 | [Molecular Weight]
166.61 | [MOL File]
4857-04-9.mol |
| Chemical Properties | Back Directory | [Appearance]
beige to dark yellow powder | [Melting point ]
146-148 °C (dec.)(lit.)
| [Boiling point ]
274.83°C (rough estimate) | [density ]
1.2387 (rough estimate) | [refractive index ]
1.5500 (estimate) | [storage temp. ]
Storage temp. -20°C | [form ]
Powder | [pka]
11.18±0.10(Predicted) | [color ]
Beige to dark yellow | [Water Solubility ]
Insoluble in water. | [InChI]
InChI=1S/C8H7ClN2/c9-5-8-10-6-3-1-2-4-7(6)11-8/h1-4H,5H2,(H,10,11) | [InChIKey]
SPMLMLQATWNZEE-UHFFFAOYSA-N | [SMILES]
C1(CCl)NC2=CC=CC=C2N=1 | [CAS DataBase Reference]
4857-04-9(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
Xn,Xi | [Risk Statements ]
R22:Harmful 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 .
S37/39:Wear suitable gloves and eye/face protection .
S36:Wear suitable protective clothing . | [WGK Germany ]
3
| [Hazard Note ]
Irritant | [HazardClass ]
IRRITANT | [HS Code ]
29339900 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Acute Tox. 4 Oral
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| Hazard Information | Back Directory | [Chemical Properties]
beige to dark yellow powder | [Uses]
2-(Chloromethyl)benzimidazole is used as intermediate in pharmaceutical , in organic synthesis . | [Synthesis]
GENERAL METHOD: A mixture of o-phenylenediamine (0.1 mol) and chloroacetic acid (0.15 mol) in 100 mL of 5N HCl was heated to reflux and stirred continuously for 3-5 hours. Upon completion of the reaction, the mixture was cooled to room temperature and subsequently neutralized with sodium bicarbonate solution. The precipitate of 2-chloromethylbenzimidazole formed was collected by filtration, washed several times with water and finally dried to obtain the pure product. | [References]
[1] Collection of Czechoslovak Chemical Communications, 1991, vol. 56, # 6, p. 1358 - 1360
[2] Revue Roumaine de Chimie, 2016, vol. 61, # 1, p. 15 - 22
[3] Oriental Journal of Chemistry, 2017, vol. 33, # 6, p. 3138 - 3143
[4] Heterocycles, 2002, vol. 57, # 8, p. 1423 - 1432
[5] Journal of the Korean Chemical Society, 2010, vol. 54, # 5, p. 589 - 593 |
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