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CAS Number: 40598-94-5
3-bromo-1H-indazole

Structure

 3-bromo-1H-indazole
Name: 3-bromo-1H-indazole
Synonyms:
General Information
Product Number: 40598945

CAS Registry Number 40598-94-5
Name:
1H-?Indazole, 3-?bromo-
3-Bromo-1H-indazole
3-Bromoindazole

 

Chemical Formula: C7H5BrN2
Exact Mass: 195.96
Molecular Weight: 197.03
m/z: 195.96 (100.0%), 197.96 (97.3%), 198.96 (8.1%), 196.97 (7.6%)

 

InChI:InChI=1S/C7H5BrN2/c8-7-5-3-1-2-4-6(5)9-10-7/h1-4H,(H,9,10)

InChI Key:HTKXRTUKPXEALT-UHFFFAOYSA-N

Canonical SMILES:C1=CC2=C(NN=C2C=C1)Br

 

Thermal Properties Value Condition Note
Melting Point 142-143 °C   (7)CAS
Melting Point 141-142 °C   (8)CAS
Melting Point 139-141 °C   (9)IC
Melting Point 124 °C   (4)CAS

Specification

98%
References
  1. (4) Lohou, Elodie; Synthesis 2011, (16), P2651-2663 CAPLUS
  2. (7) Pozharskii, F. T.; Zhurnal Obshchei Khimii 1964, V34(8), P2777-8 CAPLUS
  3. (8) Auwers, K. v.; Berichte der Deutschen Chemischen Gesellschaft [Abteilung] B: Abhandlungen 1922, V55B, P1139-73 CAPLUS
  4. (9) Wrzeciono, U.; Pharmazie 1978, V33(6), P377-8 CAPLUS
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