Basic information
- CAS
3015-66-5- Standard SMILES
CCCCOC(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1C(=O)OCCCC- InChIKey
CZYWSKLOYGOGRT-UHFFFAOYSA-N- Molecular formula
- C16H18Cl4O4
- Average molar mass
- 416.1 g/mol
- Monoisotopic mass
- 413.99592
Names & identifiers
- Preferred name
- Dibutyl tetrachlorophthalate
- IUPAC
- dibutyl 3,4,5,6-tetrachlorobenzene-1,2-dicarboxylate
- English name
- Di-n-butyl tetrachlorophthalate
- Molecular formula
- C16H18Cl4O4
- Molecular weight
- 416.12
Names & synonyms
Dibutyl tetrachlorophthalate3015-66-5T9B8SCS6G3EINECS 221-152-6DTXSID30627883,4,5,6-Tetrachloro-1,2-benzenedicarboxylic acid, dibutyl ester1,2-Benzenedicarboxylic acid, 3,4,5,6-tetrachloro-, dibutyl ester1,2-Benzenedicarboxylic acid, 3,4,5,6-tetrachloro-, 1,2-dibutyl ester3,4,5,6-Tetrachloro-1,2-benzenedicarboxylic acid dibutyl esterRefChem:586534DTXCID3038147221-152-6
Show more names
DI-N-BUTYL TETRACHLOdibutyltetrachlorophthalatedi-n-ButyltetrachlorophthalateTetrachlorophthalicaciddibutylestertetrachlorophthalicacid,dibutylesterphthalicacid,tetrachloro-,dibutylester2-benzenedicarboxylicacid,3,4,5,6-tetrachloro-dibutylester1,2-Benzenedicarboxylicacid,3,4,5,6-tetrachloro-,dibutylester
Dibutyl 2,3,4,5-Tetrachlorophthalatedibutyl 3,4,5,6-tetrachlorobenzene-1,2-dicarboxylate3,4,5,6-Tetrachloro-1,2-benzenedicarboxylic Acid 1,2-Dibutyl Ester; 3,4,5,6-Tetrachloro-1,2-benzenedicarboxylic Acid Dibutyl Ester; Tetrachloro-phthalic Acid Dibutyl Ester; 3,4,5,6-Tetrachloro-1,2-benzenedicarboxylic Acid Dibutyl Ester; Dibutyl TetrachlorophthalateUNII-T9B8SCS6G3di-n-butyl tetrachlorophthalateSCHEMBL5340890CZYWSKLOYGOGRT-UHFFFAOYSA-N1,2-Benzenedicarboxylicacid, 3,4,5,6-tetrachloro-, 1,2-dibutyl ester
Database identifiers
- CAS
3015-66-5- PubChem CID
- 76389
- DTXSID
DTXSID3062788- UNII
- T9B8SCS6G3
- EC Number
- 221-152-6
- Nikkaji
- J205.316K
Properties
Computed structural properties
- XLogP
- 6.6
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 383
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Boiling point
- 528.08 °C · 528.08°C (rough estimate)
- Density
- 1.3405 · 1.3405 (rough estimate)
- refractive index
- 1.5282 · 1.5282 (estimate)
- storage temp.
- Refrigerator, under inert atmosphere
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Oil
- color
- Pale Yellow
- FDA UNII
- 9 B8SCS6G3 · T9B8SCS6G3
- EPA Substance Registry System
- Dibutyl tetrachlorophthalate (3015-66-5)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationChemical: 1,2-Benzenedicarboxylic acid, 3,4,5,6-tetrachloro-, dibutylester
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,2-Benzenedicarboxylic acid, 3,4,5,6-tetrachloro-, 1,2-dibutyl ester: ACTIVE
Applications
UsesDibutyl 2,3,4,5-Tetrachlorophthalate is the chlorinated derivative of Dibutyl Phthalate (D429495). Dibutyl Phthalate is a phthalate metabolite with genotoxic effect.
Suppliers6 total
山东西亚化学有限公司13355009207 13355009207 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
山东小野化学股份有限公司0539-6362799 20）
career henan chemical co+86-0371-86658258 · [email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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