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CAS Number: 55912-20-4
(4-chloro-3-nitrophenyl)methanol

Structure

 (4-chloro-3-nitrophenyl)methanol
Name: (4-chloro-3-nitrophenyl)methanol
Synonyms:
General Information
Product Number: 55912204

CAS Registry Number 55912-20-4
Name:
Benzenemethanol, 4-?chloro-?3-?nitro-
Benzyl alcohol, 4-chloro-:3-nitro- (6CI,7CI)
4-Chloro-3-nitrobenzenemethanol
(4-Chloro-3-nitrophenyl)methanol
1-Chloro-4-hydroxymethyl-2-nitrobenzene
3-Hydroxymethyl-6-chloronitrobenzene

 

Chemical Formula: C7H6ClNO3
Exact Mass: 187.00
Molecular Weight: 187.58
m/z: 187.00 (100.0%), 189.00 (32.0%), 188.01 (7.8%), 190.00 (2.6%)

 

InChI:InChI=1S/C7H6ClNO3/c8-6-2-1-5(4-10)3-7(6)9(11)12/h1-3,10H,4H2

InChI Key:QLLRQJDSYJIXTN-UHFFFAOYSA-N

Canonical SMILES:C1=CC(=C(C=C1CO)[N+](=O)[O-])Cl

 

Thermal Properties Value Condition Note
Melting Point 64-65 °C   (7)CAS
Melting Point 64 °C   (8)IC
Melting Point 63-65 °C Solv: benzene (71-43-2); hexane (110-54-3) (6)CAS

Specification

98%
References
  1. (6) Reddy, M. V. Ramana; Journal of Medicinal Chemistry 2011, V54(18), P6254-6276 CAPLUS
  2. (7) Marchand, Pascal; Bioorganic & Medicinal Chemistry 2009, V17(18), P6715-6727 CAPLUS
  3. (8) Berrada, Amal; Bulletin de la Societe Chimique de France 1989, (July-Aug.), P511-14 CAPLUS
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