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CAS Number: 37908-96-6
3-chloro-4-methoxybenzoic acid

Structure

3-chloro-4-methoxybenzoic acid
Name: 3-chloro-4-methoxybenzoic acid
Synonyms:
General Information
Product Number: 37908966

CAS Registry Number 37908-96-6
Name:
Benzoic acid, 3-?chloro-?4-?methoxy-
3-Chloro-4-methoxybenzoic acid

 

Chemical Formula: C8H7ClO3
Exact Mass: 186.01
Molecular Weight: 186.59
m/z: 186.01 (100.0%), 188.01 (32.6%), 187.01 (8.8%), 189.01 (2.8%)

 

InChI:InChI=1S/C8H7ClO3/c1-12-7-3-2-5(8(10)11)4-6(7)9/h2-4H,1H3,(H,10,11)

InChI Key:IBCQUQXCTOPJOD-UHFFFAOYSA-N

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

 

Thermal Properties Value Condition Note
Melting Point 216 °C   (2)CAS
Melting Point 215 °C   (3)CAS
Melting Point 214-215 °C   (4)CAS
Melting Point 213 °C   (5)CAS
Melting Point 211-214 °C   (6)IC

Specification

98%

References
  1. (2) Kryuchkova, V. E.; Izvestiya Vysshikh Uchebnykh Zavedenii, Khimiya i Khimicheskaya Tekhnologiya 1968, V11(12), P1353-6 CAPLUS
  2. (3) Paty, Marcel; Compt. rend. 1943, V217, P229-31 CAPLUS
  3. (4) Paty, Marcel; Bulletin de la Societe Chimique de France 1944, V11, P505-11 CAPLUS
  4. (5) Hromatka, Otto; Berichte der Deutschen Chemischen Gesellschaft [Abteilung] B: Abhandlungen 1942, V75B, P123-31 CAPLUS
  5. (6) Wyrick, Steven D.; Journal of Medicinal Chemistry 1987, V30(10), P1798-806 CAPLUS
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