Basic information
- CAS
104472-57-3- Standard SMILES
CC(C)OC(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1C(=O)O- InChIKey
DDOHGXQMISKSCS-UHFFFAOYSA-N- Molecular formula
- C11H8Cl4O4
- Average molar mass
- 346 g/mol
- Monoisotopic mass
- 343.91767
Names & identifiers
- Preferred name
- Isopropyl tetrachlorophthalate
- IUPAC
- 2,3,4,5-tetrachloro-6-propan-2-yloxycarbonylbenzoic acid
- English name
- Isopropyl tetrachlorophthalate
- Molecular formula
- C11H8Cl4O4
- Molecular weight
- 345.99
Names & synonyms
ISOPROPYL TETRACHLOROPHTHALATERefChem:792223104472-57-3666-853-1SCHEMBL5336588AKOS0243348401,2-Benzenedicarboxylic acid, 3,4,5,6-tetrachloro-, 1-(1-methylethyl) ester
Database identifiers
- CAS
104472-57-3- PubChem CID
- 4622697
- EC Number
- 666-853-1
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 363
Physicochemical properties
- Boiling point
- 445.5 · 445.5±45.0 °C(Predicted)
- Density
- 1.565 · 1.565±0.06 g/cm3(Predicted)
- pka
- 1.13 · 1.13±0.50(Predicted)
- Hazard statements
- 413 · H413
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
P273, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAquatic Chronic 4 (100%)
Safety data
- Hazard statements
- H413
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SIGMAALDRICH—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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