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CAS Number: 36335-47-4
3-chloro-2,6-dimethoxybenzoic acid

Structure

 3-chloro-2,6-dimethoxybenzoic acid
Name: 3-chloro-2,6-dimethoxybenzoic acid
Synonyms:
General Information
Product Number: 36335474

CAS Registry Number 36335-47-4
Name:
Benzoic acid, 3-?chloro-?2,?6-?dimethoxy-
3-Chloro-2,6-dimethoxybenzoic acid
5-Chloro-2,6-dimethoxybenzoic acid

 

Chemical Formula: C9H9ClO4
Exact Mass: 216.02
Molecular Weight: 216.62
m/z: 216.02 (100.0%), 218.02 (32.8%), 217.02 (9.9%), 219.02 (3.2%)

 

InChI:InChI=1S/C9H9ClO4/c1-13-6-4-3-5(10)8(14-2)7(6)9(11)12/h3-4H,1-2H3,(H,11,12)

InChI Key:CLZTVXIMOQUOEI-UHFFFAOYSA-N

Canonical SMILES:COC1=C(C(=C(C=C1)Cl)OC)C(=O)O

 

Thermal Properties Value Condition Note
Melting Point 135-136 °C   (1)IC
Melting Point 132 °C   (2)CAS
Melting Point 132 °C Solv: benzene (71-43-2) (3)CAS
Melting Point 130-133 °C   (4)IC

Specification

98%
References
  1. (1) Cuyegkeng, Maria Assunta; Chemische Berichte 1987, V120(5), P803-9 CAPLUS
  2. (2) Cartwright, N. J.; Journal of the Chemical Society 1952, P3499-502 CAPLUS
  3. (3) Richter, Sidney B.; US 3012872 1961 CAPLUS
  4. (4) Florvall, Lennart; Journal of Medicinal Chemistry 1982, V25(11), P1280-6 CAPLUS
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