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CAS Number: 626-40-4
3,5-dibromoaniline

Structure

3,5-dibromoaniline
Name: 3,5-dibromoaniline
Synonyms:
General Information
Product Number: 626404
CAS Registry Number:
626-40-4
Name:
Benzenamine, 3,​5-​dibromo-
Aniline, 3,​5-​dibromo- (6CI,​7CI,​8CI); 3,​5-​Dibromoaniline; 3,​5-​Dibromobenzenamine; NSC 6216 
 
Chemical Formula: C6H5Br2N
Exact Mass: 248.88
Molecular Weight: 250.92
m/z: 250.88 (100.0%), 248.88 (51.4%), 252.87 (48.6%), 251.88 (6.5%), 249.88 (3.5%), 253.88 (3.2%)
Elemental Analysis: C, 28.72; H, 2.01; Br, 63.69; N, 5.58
 
InChI: InChI=1S/C6H5Br2N/c7-4-1-5(8)3-6(9)2-4/h1-3H,9H2
InChIKey: RVNUUWJGSOHMRR-UHFFFAOYSA-N
Canonical SMILES : C1=C(C=C(C=C1Br)Br)N
 
Thermal Properties Value Condition Note
Melting Point 56-57 °C   (3)CAS
Melting Point 55-56 °C   (4)CAS
Melting Point 55-56 °C Solv: water (7732-18-5); ethanol (64-17-5) (5)CAS
Melting Point 54-55 °C Solv: methanol (67-56-1); water (7732-18-5) (6)IC
Melting Point 53.5-56 °C   (7)CAS
Melting Point 47.5-50.5 °C   (8)CAS

Specification

98%

References
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  2. (2) Rezaei-Sameti, M.; Asian Journal of Chemistry 2010, V22(7), P5663-5671 CAPLUS
  3. (3) Shepherd, Robert G.; Journal of Organic Chemistry 1947, V12, P275-83 CAPLUS
  4. (4) Kornblum, Nathan; Journal of the American Chemical Society 1952, V74, P3074-6 CAPLUS
  5. (5) Benkeser, Robert A.; Journal of the American Chemical Society 1958, V80, P5289-94 CAPLUS
  6. (6) Kubiczak, Gerhard A.; Journal of Agricultural and Food Chemistry 1989, V37(4), P1160-4 CAPLUS
  7. (7) Carlin, Robert B.; Journal of the American Chemical Society 1950, V72, P793-801 CAPLUS
  8. (8) Senear, A. E.; Journal of Organic Chemistry 1946, V11, P378-83 CAPLUS
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