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CAS Number: 1685-19-4
1-(2-amino-5-chlorophenyl)ethanone

Structure

1-(2-amino-5-chlorophenyl)ethanone
Name: 1-(2-amino-5-chlorophenyl)ethanone
Synonyms:
General Information
Product Number: 1685194

CAS Registry Number 1685-19-4
Name:
Ethanone, 1-?(2-?amino-?5-?chlorophenyl)?-
Acetophenone, 2'-amino-5'-chloro- (7CI,8CI)
1-(2-Amino-5-chlorophenyl)ethanone
2-Amino-5-chloroacetophenone
2'-Amino-5'-chloroacetophenone

 

Chemical Formula: C8H8ClNO
Exact Mass: 169.03
Molecular Weight: 169.61
m/z: 169.03 (100.0%), 171.03 (32.2%), 170.03 (9.1%), 172.03 (2.8%)

 

InChI:InChI=1S/C8H8ClNO/c1-5(11)7-4-6(9)2-3-8(7)10/h2-4H,10H2,1H3

InChI Key:AQBCDAORSNHFNR-UHFFFAOYSA-N

Canonical SMILES:CC(=O)C1=C(C=CC(=C1)Cl)N

 

Thermal Properties Value Condition Note
Melting Point 98 °C Solv: acetone (67-64-1); ligroine (8032-32-4) (3)CAS
Melting Point 65-66 °C   (4)CAS
Melting Point 65-66 °C   (5)CAS
Melting Point 63-64 °C   (1)CAS
Melting Point 63-64 °C Solv: dichloromethane (75-09-2); hexane (110-54-3) (6)CAS
Melting Point 63-64 °C Solv: ethyl ether (60-29-7); ligroine (8032-32-4) (2)CAS
Melting Point 63-64 °C   (5)CAS
Melting Point 62 °C   (7)CAS
Melting Point 57 °C   (8)CAS

Specification

98%

References
  1. (1) Gabriele, Bartolo; Journal of Organic Chemistry 2007, V72(18), P6873-6877 CAPLUS
  2. (2) Zhao, Shuai; Journal of Fluorine Chemistry 2010, V131(5), P597-605 CAPLUS
  3. (3) Su, Weike; Journal of Chemical Research 2004, (9), P611-613 CAPLUS
  4. (4) Leonard, Nelson J.; Journal of Organic Chemistry 1946, V11, P405-18 CAPLUS
  5. (5) Simpson, J. C. E.; Journal of the Chemical Society 1945, P646-57 CAPLUS
  6. (6) Kobayashi, Kazuhiro; Synthesis 2009, (9), P1494-1498 CAPLUS
  7. (7) Schmitt, Josef; FR 1391752 1965 CAPLUS
  8. (8) Cheng, Peng Li; Bulletin de la Societe Chimique de France 1963, (10), P2248-51 CAPLUS
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