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CAS Number: 14521-80-3
3-bromo-1H-pyrazole

Structure

3-bromo-1H-pyrazole
Name: 3-bromo-1H-pyrazole
Synonyms:
General Information
Product Number: 14521803
CAS Registry Number: 14521-80-3
Name:
1H-​Pyrazole, 3-​bromo-
Pyrazole, 3-​bromo- (8CI); 3-​Bromo-​1H-​pyrazole; 3-​Bromopyrazole 
Deleted CAS Registry Numbers: 65480-​86-​6, 1174132-​74-​1
 
Chemical Formula: C3H3BrN2
Exact Mass: 145.95
Molecular Weight: 146.97
m/z: 145.95 (100.0%), 147.95 (97.3%), 146.95 (3.3%), 148.95 (3.2%)
Elemental Analysis: C, 24.52; H, 2.06; Br, 54.37; N, 19.06
 
InChI: InChI=1S/C3H3BrN2/c4-3-1-2-5-6-3/h1-2H,(H,5,6)
InChIKey: XHZWFUVEKDDQPF-UHFFFAOYSA-N
Canonical SMILES : C1=C(NN=C1)Br
 
Thermal Properties Value Condition Note
Boiling Point 70-72 °C Press: 0.1 Torr (1)CAS
Melting Point 70-72 °C   (1)CAS

Specification

98%

References
  1. (1) Reimlinger, Hans; Chemische Berichte 1966, V99(10), P3350-7 CAPLUS
  2. (2) Flammang, Robert; Chemical Physics Letters 2001, V347(4,5,6), P465-472 CAPLUS
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