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CAS Number: 102928-38-1
dimethyl 3-iodophthalate

Structure

dimethyl 3-iodophthalate
Name: dimethyl 3-iodophthalate
Synonyms:
General Information
Product Number: 102928381

CAS Registry Number 102928-38-1
Name:
1,​2-​Benzenedicarboxylic acid, 3-​iodo-​, 1,​2-​dimethyl ester
1,2-Benzenedicarboxylic acid, 3-iodo-, dimethyl ester (9CI)
3-Iodophthalic acid dimethyl ester
Dimethyl 3-iodophthalate

 

Chemical Formula: C10H9IO4
Exact Mass: 319.95
Molecular Weight: 320.08
m/z: 319.95 (100.0%), 320.96 (11.1%), 321.96 (1.4%)

 

InChI:InChI=1S/C10H9IO4/c1-14-9(12)6-4-3-5-7(11)8(6)10(13)15-2/h3-5H,1-2H3

InChI Key:ULNMLTNBMOVVPA-UHFFFAOYSA-N

Canonical SMILES:COC(=O)C1=C(C(=CC=C1)I)C(=O)OC

 

Thermal Properties Value Condition Note
Melting Point 89 °C   (2)CAS
Melting Point 89 °C   (3)CAS
Melting Point 89 °C   (4)CAS
Melting Point 77-79 °C   (5)CAS

Specification

98%

References
  1. (2) Kenner, James; Proceedings of the Chemical Society, London 1913, V28, P277 CAPLUS
  2. (3) Kenner, James; Journal of the Chemical Society, Transactions 1914, V105, P2471-82 CAPLUS
  3. (4) Kenner, James; Proc. 1914, V30, P242 CAPLUS
  4. (5) Twiss, Daniel; Journal of Organic Chemistry 1950, V15, P496-510 CAPLUS
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