Basic information
- CAS
1250779-80-6- Standard SMILES
O=C(O)C(F)(F)c1ccccc1F- InChIKey
MEUKKMRCOPFQAQ-UHFFFAOYSA-N- Molecular formula
- C8H5F3O2
- Average molar mass
- 190.12 g/mol
- Monoisotopic mass
- 190.02416388
Names & identifiers
- Preferred name
- 2,2-Difluoro-2-(2-fluorophenyl)acetic acid
- IUPAC
- 2,2-difluoro-2-(2-fluorophenyl)acetic acid
- English name
- 2,2-difluoro-2-(2-fluorophenyl)acetic acid
- Molecular formula
- C8H5F3O2
- Molecular weight
- 190.12
Names & synonyms
2,2-difluoro-2-(2-fluorophenyl)acetic acid1250779-80-6RefChem:441000872-542-3MFCD16779253SCHEMBL17420795SCHEMBL31414989AAC77980AKOS011781671alpha,alpha,2-Trifluorobenzeneacetic acidSY1971002,2-difluoro-2-(2-fluorophenyl)aceticacid
Show more names
α,α,2-Trifluorobenzeneacetic acidBenzeneacetic acid, α,α,2-trifluoro-
Benzeneacetic acid, alpha,alpha,2-trifluoro-EN300-96767G74958F866750
Database identifiers
- CAS
1250779-80-6- PubChem CID
- 62492425
- EC Number
- 872-542-3
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 206
Physicochemical properties
- Boiling point
- 264.9 · 264.9±35.0 °C(Predicted)
- Density
- 1.431 · 1.431±0.06 g/cm3(Predicted)
- storage temp.
- Store at room temperature
- pka
- 0.87 · 0.87±0.10(Predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H335-H315-H319
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H335-H315-H319
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers11 total
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
山东大有药物研发有限公司[email protected] 15165037910 · [email protected]
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
西安峥鎏生物科技有限公司15594552852 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
上海迈瑞尔生化科技有限公司18621169109 · [email protected]
唐缘生命科学（上海）有限公司400-618-1121 17316487975 · [email protected]
佰美济华（河南）医药科技有限公司0371-88900765 18037465274 · [email protected]
北京新研汇医药研发有限公司13969155946 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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