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CAS Number: 1484-27-1
3-bromo-1H-indole

Structure

3-bromo-1H-indole
Name: 3-bromo-1H-indole
Synonyms:
General Information
Product Number: 1484271

CAS Registry Number 1484-27-1
Name:
1H-?Indole, 3-?bromo-
Indole, 3-bromo- (6CI,7CI)
3-Bromo-1H-indole
3-Bromoindole
3-Indolyl bromide

 

Chemical Formula: C8H6BrN
Exact Mass: 194.97
Molecular Weight: 196.04
m/z: 194.97 (100.0%), 196.97 (97.3%), 195.97 (9.1%), 197.97 (8.5%)

 

InChI:InChI=1S/C8H6BrN/c9-7-5-10-8-4-2-1-3-6(7)8/h1-5,10H

InChI Key:YHIWBVHIGCRVLE-UHFFFAOYSA-N

Canonical SMILES:C1=CC=C2C(=C1)C(=CN2)Br

 

Thermal Properties Value Condition Note
Melting Point 66-67 °C   (6)IC
Melting Point 66-67 °C (decomp)   (7)IC
Melting Point 66 °C   (8)CAS
Melting Point 65-67 °C   (9)CAS
Melting Point 65-66 °C   (10)IC
Melting Point 65-66 °C (decomp)   (11)CAS

Specification

98%

References
  1. (1) Brennan, Mary R.; Heterocycles 1986, V24(10), P2879-85 CAPLUS
  2. (5) Bellesia, Franco; Journal of Chemical Research, Synopses 1989, (6), P182-3 CAPLUS
  3. (6) Budylin, V. A.; Khimiya Geterotsiklicheskikh Soedinenii 1981, (11), P1503-5 CAPLUS
  4. (7) Budylin, V. A.; Khimiya Geterotsiklicheskikh Soedinenii 1981, (11), P1494-6 CAPLUS
  5. (8) Mousseron-Canet, Magdeleine; Bulletin de la Societe Chimique de France 1967, (4), P1294-5 CAPLUS
  6. (9) Mousseron-Canet, Magdeleine; Compt. Rend. 1965, V260(8), P2263-5 CAPLUS
  7. (10) Katritzky, Alan R.; Journal of Heterocyclic Chemistry 1987, V24(3), P641-4 CAPLUS
  8. (11) Piers, K.; Canadian Journal of Chemistry 1963, V41(9), P2399-401 CAPLUS
  9. (12) Hugon, Bernadette; Tetrahedron Letters 2003, V44(20), P3927-3930 CAPLUS
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