Basic information
- CAS
1198171-20-8- Standard SMILES
O=Cc1ccc(F)cc1C(F)F- InChIKey
AUOQUJCFZDEZSW-UHFFFAOYSA-N- Molecular formula
- C8H5F3O
- Average molar mass
- 174.12 g/mol
- Monoisotopic mass
- 174.02924944
Names & identifiers
- Preferred name
- 2-(Difluoromethyl)-4-fluorobenzaldehyde
- IUPAC
- 2-(difluoromethyl)-4-fluorobenzaldehyde
- English name
- Benzaldehyde, 2-(difluoromethyl)-4-fluoro-
- Molecular formula
- C8H5F3O
- Molecular weight
- 174.12
Names & synonyms
2-(difluoromethyl)-4-fluorobenzaldehyde1198171-20-8RefChem:84676884-876-7Benzaldehyde, 2-(difluoromethyl)-4-fluoro-SCHEMBL1419955DTXSID001278670AT27437EN300-7835203Z1255421823
Database identifiers
- CAS
1198171-20-8- PubChem CID
- 86652255
- DTXSID
DTXSID001278670- EC Number
- 884-876-7
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 160
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H227 (100%): Combustible liquid [Warning Flammable liquids]
P210, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 4 (100%)
Chemistry & industry
Suppliers5 total
南通菡芳生物科技有限公司[email protected] 18017580634 · [email protected]
誉通医药科技（苏州）有限公司0512-15851462628 15851462628 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
泰兴市海川生物科技有限公司19353112242 · [email protected]
Related reactions
3 records
Compound notes
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