Carbonochloridic acid, 2,4,6-trichlorophenyl ester
Basic information
- CAS
4511-19-7- Standard SMILES
O=C(Cl)Oc1c(Cl)cc(Cl)cc1Cl- InChIKey
KUZDOAWPCGDGRN-UHFFFAOYSA-N- Molecular formula
- C7H2Cl4O2
- Average molar mass
- 259.9 g/mol
- Monoisotopic mass
- 257.88089
Names & identifiers
- Preferred name
- Carbonochloridic acid, 2,4,6-trichlorophenyl ester
- IUPAC
- (2,4,6-trichlorophenyl) carbonochloridate
- English name
- 2,4,6-Trichlorophenyl chloroformate
- Molecular formula
- C7H2Cl4O2
- Molecular weight
- 260
Names & synonyms
2,4,6-Trichlorophenyl chloroformate4511-19-7TL 399BRN 2214410Phenol, 2,4,6-trichloro-, chloroformateCarbonochloridic acid, 2,4,6-trichlorophenyl esterDTXSID70196388Formic acid, chloro-, 2,4,6-trichlorophenyl esterCarbonochloridic acid, 2,4,6-trichlorophenyl ester (9CI)RefChem:333513DTXCID80118879MFCD01726289
Show more names
2,4,6-trichlorophenyl carbonochloridateSCHEMBL279296712,4,6-TrichlorophenylchloroformateAKOS015950772SY296818DB-239484EN300-278172
Database identifiers
- CAS
4511-19-7- PubChem CID
- 199601
- DTXSID
DTXSID70196388
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 187
Physicochemical properties
- Density
- 1.6531 · 1.6531 (estimate)
- CAS DataBase Reference
- 4511 · 4511-19-7
- Toxicity
- 1770 mg/m3/10M · LC ihl-mus: >1770 mg/m3/10M NDRC** NDCrc-132,Nov,42
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Toxicity
- LC ihl-mus: >1770 mg/m3/10M NDRC** NDCrc-132,Nov,42
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Compound notes
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