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CAS Number: 41433-12-9
2-(1H-benzo[d]imidazol-2-yl)-4-chlorophenol

Structure

2-(1H-benzo[d]imidazol-2-yl)-4-chlorophenol
Name: 2-(1H-benzo[d]imidazol-2-yl)-4-chlorophenol
Synonyms:
General Information
Product Number: 41433129
CAS Number:
41433-12-9
Name:2-(1H-benzo[d]imidazol-2-yl)-4-chlorophenol
Phenol, 2-(2-benzimidazolyl)-4-chloro- (7CI); 2-(2'-Hydroxy-5'-chlorophenyl)benzimidazole; 2-(3-Chloro-6-hydroxyphenyl)benzimidazole; 5CHBI 
Chemical Formula: C13H9ClN2O
Exact Mass: 244.04
Molecular Weight: 244.68
m/z: 244.04 (100.0%), 246.04 (32.3%), 245.04 (14.8%), 247.04 (4.5%)
Elemental Analysis: C, 63.81; H, 3.71; Cl, 14.49; N, 11.45; O, 6.54
InChI: InChI=1S/C13H9ClN2O/c14-8-5-6-12(17)9(7-8)13-15-10-3-1-2-4-11(10)16-13/
h1-7,15-16H
Canonical SMILES : C1=CC=C2C(=C1)NC(=C3C=C(C=CC3=O)Cl)N2
 
 
Thermal Properties Value Condition Note
Melting Point 306-307 °C Solv: ethyl acetate (141-78-6); ligroine (8032-32-4) (2)CAS
Melting Point 305-306 °C Solv: methanol (67-56-1) (4)IC
Melting Point 303-305 °C Solv: ethanol (64-17-5) (5)IC

Specification

98%

References
  1. (1) WSS: Wolfgang Robien / University of Vienna (Spectral Data were obtained from Wiley Subscription Services, Inc. (US))
  2. (2) Sridharan, V.; Magnetic Resonance in Chemistry 2005, V43(7), P551-556 CAPLUS
  3. (3) WSS: Spectral data were obtained from Wiley Subscription Services, Inc. (US)
  4. (4) Latif, N.; Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry 1982, V21B(9), P872-4 CAPLUS
  5. (5) Sluka, J.; Collection of Czechoslovak Chemical Communications 1976, V41(12), P3628-34 CAPLUS
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