4-Methyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-one
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Basic information
- CAS
3274-12-2- Standard SMILES
CC1(C(Cl)(Cl)Cl)C=CC(=O)C=C1- InChIKey
RCHALGLCCGJUAE-UHFFFAOYSA-N- Molecular formula
- C8H7Cl3O
- Average molar mass
- 225.5 g/mol
- Monoisotopic mass
- 223.956248
Overview
See also: 4-Methyl-4-trichloromethyl-2,5-cyclohexadien-1-one (annotation moved to).
Names & identifiers
- Preferred name
- 4-Methyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-one
- IUPAC
- 4-methyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-one
- English name
- 4-METHYL-4-TRICHLOROMETHYL-2,5-CYCLOHEXADIEN-1-ONE)
- Molecular formula
- C8H7Cl3O
- Molecular weight
- 225.5
Names & synonyms
3274-12-24-Methyl-4-(trichloromethyl)cyclohexa-2,5-dienone4-methyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-one4-Methyl-4-(trichloromethyl)-2,5-cyclohexadien-1-one4-METHYL-4-TRICHLOROMETHYL-2,5-CYCLOHEXADIEN-1-ONE)MFCD00001590NSC4075234-Trichloromethyl-4-methyl-2,5-cyclohexadienoneSCHEMBL3633824-Trichloromethyl-4-methyl-2,5-cyclohexadien-1-oneDTXSID20324679SBB057327
Show more names
NSC 407523Trichloromethyl ketone derivative4-Methyl-4-(trichloroMeth yl)-2,5-cyclohexadienone2,5-Cyclohexadien-1-one,4-Methyl-4-(trichloroMethyl)-4-Methyl-4-(trichloromethyl)-2,5-cyclohexadiene-1-one4-Methyl-4-(trichloromethyl)-2,5-cyclohexadienone (4-MTD)
STK538225AKOS005468690NSC-407523DS-20084SY316331DB-218992ST50544393W16988
Properties
Computed structural propertiesFilling in
- XLogP
- 3.3
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 244
Physicochemical properties
- Melting point
- 103 · 103-104℃ (ligroine )
- Boiling point
- 289 · 289.0±40.0 °C(Predicted)
- Density
- 1.419 · 1.419±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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