Basic information
- CAS
27575-78-6- Standard SMILES
Clc1ccc(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1- InChIKey
WAGIESWOTQOLJS-UHFFFAOYSA-N- Molecular formula
- C19H13Cl3
- Average molar mass
- 347.7 g/mol
- Monoisotopic mass
- 346.008283
Overview
Tris(4-chlorophenyl)methane is a triarylmethane in which the three aryl groups are 4-chlorophenyl. It is a micro-contaminant found in humans and marine environment. It has a role as a persistent organic pollutant. It is a triarylmethane and a member of monochlorobenzenes.
Names & identifiers
- Preferred name
- Tris(4-chlorophenyl)methane
- IUPAC
- 1-[bis(4-chlorophenyl)methyl]-4-chlorobenzene
- English name
- 1-[bis(4-chlorophenyl)methyl]-4-chloro-benzene
- Molecular formula
- C19H13Cl3
- Molecular weight
- 347.67
Names & synonyms
tris(4-chlorophenyl)methanetris-CPMRefChem:93352527575-78-6Benzene, 1,1',1''-methylidynetris[4-chloro-1-[bis(4-chlorophenyl)methyl]-4-chlorobenzene1-[bis(4-chlorophenyl)methyl]-4-chloro-benzeneMFCD09970349Benzene, 1,1',1''-methylidynetris(4-chloro-1,1',1''-methanetriyltris(4-chlorobenzene)Tris(p-chlorophenyl)methaneC19H13Cl3
Show more names
1,1',1''-Methylidynetris[4-chlorobenzenec(ccc(c1)Cl)(c1)C(c(ccc(c2)Cl)c2)c(ccc(c3)Cl)c3
TCPMeSCHEMBL4088043SCHEMBL4088048DTXSID70181976CHEBI:231326WAGIESWOTQOLJS-UHFFFAOYSA-NTriphenylmethane, 4,4',4''-trichloroMethane, 4,4',4''-trichlorotriphenyl-
Database identifiers
- CAS
27575-78-6- PubChem CID
- 92256
- DTXSID
DTXSID70181976- ChEBI
CHEBI:231326
Properties
Computed structural properties
- XLogP
- 7.3
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 269
Physicochemical properties
- Melting point
- 80 °C · 80 °C
- Boiling point
- 441.6 · 441.6±40.0 °C(Predicted)
- Density
- 1.294 · 1.294±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
Chemistry & industry
Applications
UsesTris(4-chlorophenyl)methane is a standard for environmental testing and research. Studies on the geographical distribution, accumulation kinetics and infants health risk of organochlorines in human breast milk from Indonesia. Extraction and cleanup methods for analysis of phenolic and neutral organohalogens in plasma.
Suppliers8 total
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Related reactions
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No reaction records under the current filter.
Compound notes
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