Basic information
- CAS
729-80-6- Standard SMILES
ClC(Cl)(Cl)c1cc(C(Cl)(Cl)Cl)cc(C(Cl)(Cl)Cl)c1- InChIKey
DDTHLQVVHGZPQB-UHFFFAOYSA-N- Molecular formula
- C9H3Cl9
- Average molar mass
- 430.2 g/mol
- Monoisotopic mass
- 425.743149
Names & identifiers
- Preferred name
- Nonachloromesitylene
- IUPAC
- 1,3,5-tris(trichloromethyl)benzene
Names & synonyms
Nonachloromesitylene1,3,5-Tris(trichloromethyl)benzeneBRN 1996406729-80-6AI3-02584DTXSID302232003-05-00-00920 (Beilstein Handbook Reference)Mesitylene, alpha,alpha,alpha,alpha',alpha',alpha',alpha'',alpha'',alpha''-nonachloro-NSC 146411RefChem:166410DTXCID90145691DDTHLQVVHGZPQB-UHFFFAOYSA-N
Show more names
Benzene, 1,3,5-tris(trichloromethyl)-Benzene, 1,3,5-tris[trichloromethyl]-NSC146411SCHEMBL1538847SCHEMBL182430431,3,5-Tris(trichloromethyl)benzene #NSC-146411
Database identifiers
- CAS
729-80-6- PubChem CID
- 98545
- DTXSID
DTXSID30223200
Properties
Computed structural properties
- XLogP
- 6.8
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 224
Experimental & physicochemical properties
SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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