Basic information
- Standard SMILES
FC(F)(F)c1cccc(C(Cl)Cl)c1- InChIKey
YHSJPSUQWJNGQJ-UHFFFAOYSA-N- Molecular formula
- C8H5Cl2F3
- Average molar mass
- 229.02 g/mol
Names & identifiers
- Preferred name
- 3-(Trifluoromethyl)benzal chloride
- IUPAC
- 1-(dichloromethyl)-3-(trifluoromethyl)benzene
- English name
- 3-(Trifluoromethyl)benzal chloride
- Molecular formula
- C8H5Cl2F3
- Molecular weight
- 229.03
Names & synonyms
3-(Trifluoromethyl)benzal chloride1-(dichloromethyl)-3-(trifluoromethyl)benzene3-(Dichloromethyl)benzotrifluorideSCHEMBL4601149YHSJPSUQWJNGQJ-UHFFFAOYSA-NMFCD00077614SBB097373AKOS025310480SY3307123-(dichloromethyl)-1-(trifluoromethyl)benzeneMTF-BACM-TRIFLUOROMETHYLBENZAL CHLORIDE
Show more names
3-(Trifluoromethyl)benzalchloride97%3-(Trifluoromethyl)benzal chloride 97%3-(trifluoromethyl)benzaldehyde chlorideBenzene, 1-(dichloromethyl)-3-(trifluoromethyl)-
Database identifiers
- CAS
85301-66-2
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 167
Physicochemical properties
- Boiling point
- 92 · 92/15mm
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36/37/39
- Hazard Note
- Irritant
- HS Code
- 2912210000 · 2912210000
Safety & regulation
Safety data
- hs_code
- 2912210000
- risk_code
- 36/37/38
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 26-36/37/39
Chemistry & industry
Suppliers3 total
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
上海齐奥化工科技有限公司021-58892003 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Linked notes
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