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CAS Number: 148843-77-0
7-amino-3-methylisobenzofuran-1(3H)-one

Structure

7-amino-3-methylisobenzofuran-1(3H)-one
Name: 7-amino-3-methylisobenzofuran-1(3H)-one
Synonyms:
General Information
Product Number: 148843770

CAS Registry Number: 148843-77-0

Name:

1(3H)​-​Isobenzofuranone, 7-​amino-​3-​methyl-

 

Chemical Formula: C9H9NO2
Exact Mass: 163.06
Molecular Weight: 163.17
m/z: 163.06 (100.0%), 164.07 (9.9%)

 

InChI: InChI=1S/C9H9NO2/c1-5-6-3-2-4-7(10)8(6)9(11)12-5/h2-5H,10H2,1H3
InChIKey: JIOGJHYMEJMJOO-UHFFFAOYSA-N
Canonical SMILES : CC1C2=C(C(=CC=C2)N)C(=O)O1

 

Thermal Properties Value Condition Note
Melting Point 126-127 °C Solv: ethanol (64-17-5) (1)CAS
Melting Point 76-76.5 °C Solv: ligroine (8032-32-4) (2)CAS
Melting Point 76-76.5 °C   (3)CAS
Melting Point 75-76 °C   (2)CAS
Melting Point See full text   (4)CAS

Specification

98%

References
  1. (1) Horii, Zenichi; Yakugaku Zasshi 1954, V74, P471-4 CAPLUS
  2. (2) Horii, Zenichi; Yakugaku Zasshi 1953, V73, P526-7 CAPLUS
  3. (3) Horii, Zenichi; JP 30007077 B4 1955 CAPLUS
  4. (4) Horii, Zenichi; JP 30004032 B4 1955 CAPLUS
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