Basic information
- CAS
1824048-48-7- Standard SMILES
Cc1ccc(C#N)c(F)c1C(F)(F)F- InChIKey
DYBOBJDNRODHIR-UHFFFAOYSA-N- Molecular formula
- C9H5F4N
- Average molar mass
- 203.14 g/mol
- Monoisotopic mass
- 203.03581181
Names & identifiers
- Preferred name
- 2-Fluoro-4-methyl-3-(trifluoromethyl)benzonitrile
- IUPAC
- 2-fluoro-4-methyl-3-(trifluoromethyl)benzonitrile
- English name
- 2-Fluoro-4-methyl-3-(trifluoromethyl)benzonitrile
- Molecular formula
- C9H5F4N
- Molecular weight
- 203.14
Names & synonyms
2-Fluoro-4-methyl-3-(trifluoromethyl)benzonitrile1824048-48-7MFCD28103369AKOS037653625JS-5214Benzonitrile, 2-fluoro-4-methyl-3-(trifluoromethyl)-
Database identifiers
- CAS
1824048-48-7- PubChem CID
- 98041761
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 251
Physicochemical properties
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 315 · H315-H319-H302+H332-H311
- Precautionary statements
- 280 · P280-P301+P312-P361+P364
- HS Code
- 2926907090 · 2926907090
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
- hs_code
- 2926907090
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H315-H319-H302+H332-H311
- Precautionary statements
- P280-P301+P312-P361+P364
Chemistry & industry
Suppliers3 total
Alfa Chemistry+1-5166625404 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
河南梦泰医药科技有限公司17634413542 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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