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CAS Number: 39263-32-6
2-amino-5-bromobenzonitrile

Structure

2-amino-5-bromobenzonitrile
Name: 2-amino-5-bromobenzonitrile
Synonyms:
General Information
Product Number: 39263326
CAS Number:
39263-32-6
Name:
Benzonitrile,2-amino-5-bromo-
Synonyms:
Anthranilonitrile,5-bromo- (6CI,7CI);2-Cyano-4-bromoaniline;4-Bromo-2-cyanoaniline;5-Bromoanthranilonitrile;NSC 263786;
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%)
Elemental Analysis: C, 42.67; H, 2.56; Br, 40.55; N, 14.22
EINECS:
254-387-8
MDL:, MFCD00158946
Appearance:
white to light yellow crystal powder
Hazard Symbols:
HarmfulXn, IrritantXi
Risk Codes:
20/21/22-43-36/37/38
Safety:
36/37-36/37/39-26-22
 
InChI: InChI=1S/C7H5BrN2/c8-6-1-2-7(10)5(3-6)4-9/h1-3H,10H2
InChIKey: OATYCBHROMXWJO-UHFFFAOYSA-N
Canonical SMILES : C1=CC(=C(C=C1Br)C#N)N
 
 
Thermal Properties Value Condition Note
Melting Point 265 °C   (1)CAS
Melting Point 97-99 °C   (2)CAS
Melting Point 96-97 °C   (5)CAS
Melting Point 96 °C   (6)CAS
Melting Point 94-95 °C   (3)CAS
Melting Point 92-94 °C   (7)CAS
Melting Point 91-93 °C   (8)IC
Melting Point 89-92 °C   (9)CAS
 

Specification

98%

References
  1. (1) Loidreau, Yvonnick; Tetrahedron 2011, V67(26), P4852-4857 CAPLUS
  2. (2) Zysman-Colman, Eli; Canadian Journal of Chemistry 2009, V87(2), P440-447 CAPLUS
  3. (3) Nakhai, Azadeh; European Journal of Organic Chemistry 2010, (34), P6588-6599 CAPLUS
  4. (4) Sanderson, Hans; Toxicology Letters 2009, V187(2), P84-93 CAPLUS
  5. (5) Taylor, Edward C., Jr.; Journal of the American Chemical Society 1960, V82, P3152-7 CAPLUS
  6. (6) Alinezhad, Heshmatollah; Synthetic Communications 2010, V40(21), P3226-3232 CAPLUS
  7. (7) Taylor, Edward C.; Journal of Organic Chemistry 1961, V26, P4967-74 CAPLUS
  8. (8) Campbell, James B., Jr.; Synthetic Communications 1989, V19(13-14), P2255-63 CAPLUS
  9. (9) Hosseinzadeh, Rahman; Synthetic Communications 2010, V40(6), P868-876 CAPLUS
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