Basic information
- CAS
207291-85-8- Standard SMILES
Oc1cccc(C(F)(F)F)c1F- InChIKey
DOICLFHNNMXINV-UHFFFAOYSA-N- Molecular formula
- C7H4F4O
- Average molar mass
- 180.1 g/mol
- Monoisotopic mass
- 180.0198274
Names & identifiers
- Preferred name
- 2-Fluoro-3-(trifluoromethyl)phenol
- IUPAC
- 2-fluoro-3-(trifluoromethyl)phenol
- English name
- 2-FLUORO-3-(TRIFLUOROMETHYL)PHENOL
- Molecular formula
- C7H4F4O
- Molecular weight
- 180.1
Names & synonyms
2-Fluoro-3-(trifluoromethyl)phenol207291-85-8DTXSID60372159RefChem:87055DTXCID70323192623-667-5DOICLFHNNMXINV-UHFFFAOYSA-NPhenol, 2-fluoro-3-(trifluoromethyl)-MFCD000835542-Fluoro-3-hydroxybenzotrifluorideA814840SCHEMBL1125329
Show more names
Fluorotrifluoromethylphenol2-Fluoro-3-(trifluoromethyl)phenol98%2-Fluoro-3-(trifluoromethyl)phenol 98%2-Fluoro-3-hydroxybenzotrifluoride 98%2-FLUORO-3-(TRIFLUOROMETHYL)PHENOL ISO 9001：2015 REACH3-fluoro-2-(trifluoromethyl)-4-pyridinecarboxylic acid2-Fluoro-3-(trifluoromethyl)phenol, alpha,alpha,alpha,2-Tetrafluoro-m-cresol
SCHEMBL20516522-fluoro-3-trifluoromethylphenol2-fluoro-3-(trifluoromethyl)-phenolSBB089620AKOS006220720PS-11658SY0624272-Fluoro-3-(trifluoromethyl)phenol, 97%
Database identifiers
- CAS
207291-85-8- PubChem CID
- 2737586
- DTXSID
DTXSID60372159- EC Number
- 623-667-5
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 156
Experimental & physicochemical properties
Kovats Retention Index954.8
Physicochemical properties
- Boiling point
- 122 °C · 122 °C (lit.)
- Density
- 1.431 g/mL · 1.431 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.443(lit.)
- Flash point
- 143 °F · 143 °F
- storage temp.
- Sealed in dry,Room Temperature
- form
- low melting solid / liquid
- pka
- 7.704 · 7.704±0.10(predicted)
- color
- Clear, colourless
- InChI
- 1S/C7H4F4O/c8-6-4(7(9,10)11)2-1-3-5(6)12/h1-3,12H
- InChIKey
- DOICLFHNNMXINV-UHFFFAOYSA-N
- SMILES
- Oc1cccc(c1F)C(F)(F)F
- CAS DataBase Reference
- 207291 · 207291-85-8(CAS DataBase Reference)
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (97.6%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (97.6%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (97.6%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
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, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (97.6%)；Acute Tox. 4 (97.6%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；Acute Tox. 4 (97.6%)；STOT SE 3 (100%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- ridadr
- UN 2811 6.1/PG 3
- hs_code
- 2908190090
- risk_code
- 20/21/22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
Chemistry & industry
Applications
Uses2-Fluoro-3-(trifluoromethyl)phenol is an organofluorine compound that can be used as a pharmaceutical synthesis intermediate.
Uses2-Fluoro-3-(trifluoromethyl)phenol is an organic fluorinated building block.
General Description2-Fluoro-3-(trifluoromethyl)phenol is an organic fluorinated building block.
Suppliers55 total
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Syntechem Co.,Ltd[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
Related reactions
6 records
Compound notes
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