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CAS Number: 2519-61-1
2-(4-chloro-1H-indol-3-yl)acetic acid

Structure

 2-(4-chloro-1H-indol-3-yl)acetic acid
Name: 2-(4-chloro-1H-indol-3-yl)acetic acid
Synonyms:
General Information
Product Number: 2519611

CAS Registry Number 2519-61-1
Name:
1H-?Indole-?3-?acetic acid, 4-?chloro-
Indole-3-acetic acid, 4-chloro- (7CI,8CI)
4-Chloro-1H-indole-3-acetic acid
4-Chloro-IAA
4-Chloroindole-3-acetic acid
4-Chloroindoleacetic acid

 

 

Chemical Formula: C10H8ClNO2
Exact Mass: 209.02
Molecular Weight: 209.63
m/z: 209.02 (100.0%), 211.02 (32.0%), 210.03 (11.0%), 212.02 (3.6%)

 

InChI:InChI=1S/C10H8ClNO2/c11-7-2-1-3-8-10(7)6(5-12-8)4-9(13)14/h1-3,5,12H,4H2,(H,13,14)

InChI Key:WNCFBCKZRJDRKZ-UHFFFAOYSA-N

Canonical SMILES:C1=CC2=C(C(=C1)Cl)C(=CN2)CC(=O)O

 

Thermal Properties Value Condition Note
Melting Point 186-188 °C Solv: dichloromethane (75-09-2); methanol (67-56-1) (1)IC
Melting Point 184-187 °C (decomp)   (2)IC
Melting Point See full text   (3)CAS

Specification

98%
References
  1. (1) Somei, Masanori; Chemical & Pharmaceutical Bulletin 1985, V33(9), P3696-708 CAPLUS
  2. (2) Engvild, K. C.; Acta Chemica Scandinavica, Series B: Organic Chemistry and Biochemistry 1977, VB31(4), P338-9 CAPLUS
  3. (3) Hansch, Corwin; Journal of the American Chemical Society 1951, V73, P3518 CAPLUS
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