Basic information
- CAS
59340-47-5- Standard SMILES
COC(=O)c1ccc(I)cc1C(=O)OC- InChIKey
JVLGGEVUYARXHI-UHFFFAOYSA-N- Molecular formula
- C10H9IO4
- Average molar mass
- 320.08 g/mol
- Monoisotopic mass
- 319.95456
Names & identifiers
- Preferred name
- Dimethyl 4-iodophthalate
- IUPAC
- dimethyl 4-iodobenzene-1,2-dicarboxylate
- English name
- dimethyl 4-iodophthalate
- Molecular formula
- C10H9IO4
- Molecular weight
- 320.08
Names & synonyms
Dimethyl 4-iodophthalate59340-47-5dimethyl 4-iodobenzene-1,2-dicarboxylateMFCD026900531,2-Benzenedicarboxylic acid, 4-iodo-, 1,2-dimethyl esterEINECS 261-711-1GD4CGS6A74SCHEMBL15326189SCHEMBL31585831DTXSID70208091JVLGGEVUYARXHI-UHFFFAOYSA-N1,2-BENZENEDICARBOXYLIC ACID,4-IODO-,1,2-DIMETHYL ESTER
Show more names
4-Iodophthalic acid dimethyl ester4-Iodo-1,2-benzenedicarboxylic acid dimethyl ester1,2-Benzenedicarboxylic acid, 4-iodo-, diMethyl ester
AC6425AKOS017268848AS-77077SY058078DB-297206CS-0454037NS00034137SR-01000025225
Database identifiers
- CAS
59340-47-5- PubChem CID
- 101019
- DTXSID
DTXSID70208091- UNII
- GD4CGS6A74
- EC Number
- 261-711-1
- Nikkaji
- J308.668B
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 254
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- FDA UNII
- 4 CGS6A74 · GD4CGS6A74
Chemistry & industry
Suppliers10 total
韶远科技（上海）有限公司4000665055 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]
郑州萃智医药科技有限公司19943855286 · [email protected]
上海百韧生物科技有限公司13564638271 · [email protected]
上海颖心实验室设备有限公司021-021-59178156 15300768757 · [email protected]
Accela ChemBio Inc.+1-858-6993322 +86-18019713315 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
上海鼓臣生物技术有限公司021-34675735 19147740836 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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