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CAS Number: 6831-92-1
4-chloro-1-phenyl-1H-pyrazole

Structure

4-chloro-1-phenyl-1H-pyrazole
Name: 4-chloro-1-phenyl-1H-pyrazole
Synonyms:
General Information
Product Number: 6831921

CAS Registry Number 6831-92-1
Name:
1H-?Pyrazole, 4-?chloro-?1-?phenyl-
Pyrazole, 4-chloro-1-phenyl- (6CI,7CI,8CI)
4-Chloro-1-phenyl-1H-pyrazole
1-Phenyl-4-chloropyrazole
4-Chloro-1-phenylpyrazole

 

Chemical Formula: C9H7ClN2
Exact Mass: 178.03
Molecular Weight: 178.62
m/z: 178.03 (100.0%), 180.03 (32.0%), 179.03 (10.5%), 181.03 (3.1%)

 

InChI:InChI=1S/C9H7ClN2/c10-8-6-11-12(7-8)9-4-2-1-3-5-9/h1-7H

InChI Key:OAWHISBYSDFHHU-UHFFFAOYSA-N

Canonical SMILES:C1=CC=C(C=C1)N2C=C(C=N2)Cl

 

Thermal Properties Value Condition Note
Boiling Point 106 °C Press: 1 Torr (1)CAS
Melting Point 75 °C   (1)CAS
Melting Point 74-76 °C   (5)CAS
Melting Point 74-75 °C   (6)CAS
Melting Point 74 °C   (7)CAS
Melting Point 72.5-74.3 °C   (4)CAS

Specification

98%

References
  1. (1) Grandberg, I. I.; Zhurnal Obshchei Khimii 1963, V33, P511-15 CAPLUS
  2. (4) Kalyani, Dipannita; Tetrahedron 2006, V62(49), P11483-11498 CAPLUS
  3. (5) Olsen, Sigurd; Chemische Berichte 1948, V81, P540-6 CAPLUS
  4. (6) Klimko, V. T.; Zhurnal Obshchei Khimii 1961, V31, P170-5 CAPLUS
  5. (7) Grandberg, I. I.; Zhurnal Obshchei Khimii 1960, V30, P2931-41 CAPLUS
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