Basic information
- CAS
31181-84-7- Standard SMILES
OCc1ccc(C(F)(F)F)cn1- InChIKey
GVAFEGOUIQFLQH-UHFFFAOYSA-N- Molecular formula
- C7H6F3NO
- Average molar mass
- 177.12 g/mol
- Monoisotopic mass
- 177.04014847
Names & identifiers
- Preferred name
- (5-(Trifluoromethyl)pyridin-2-yl)methanol
- IUPAC
- [5-(trifluoromethyl)-2-pyridinyl]methanol
- English name
- (5-TRIFLUOROMETHYL-PYRIDIN-2-YL) METHANOL
- Molecular formula
- C7H6F3NO
- Molecular weight
- 177.12
Names & synonyms
31181-84-7(5-(trifluoromethyl)pyridin-2-yl)methanol[5-(trifluoromethyl)pyridin-2-yl]methanolDTXSID20396871RefChem:1050559DTXCID50347730812-309-5[5-(trifluoromethyl)-2-pyridinyl]methanol(5-Trifluoromethyl-pyridin-2-yl) methanolMFCD04117762(5-Trifluoromethyl-pyridin-2-yl)methanol(5-trifluoromethyl-pyridin-2-yl)-methanol
Show more names
5-(trifluoromethyl)-2-Pyridinemethanol2-Pyridinemethanol, 5-(trifluoromethyl)-2-HydroxyMethyl-5-(TrifluorMethyl)-Pyridine(5-TRIFLUOROMETHYL-PYRIDIN-2-YL) METHANOL ISO 9001：2015 REACH
2-(HYDROXYMETHYL)-5-(TRIFLUOROMETHYL)PYRIDINE[5-(TRIFLUOROMETHYL)-2-PYRIDYL]METHANOLSCHEMBL472531SCHEMBL5262966AR2111SBB089232AKOS006295430AB20728
Database identifiers
- CAS
31181-84-7- PubChem CID
- 3820787
- DTXSID
DTXSID20396871
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 33.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 148
Physicochemical properties
- Boiling point
- 215.5 · 215.5±35.0 °C(Predicted)
- Density
- 1.362 · 1.362±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- pka
- 13.16 · 13.16±0.10(Predicted)
- Appearance
- Light yellow to yellow Liquid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- HazardClass
- IRRITANT
- HS Code
- 2933399990 · 2933399990
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 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]
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 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (66.7%)
Safety data
- hs_code
- 2933399990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
南京先景医药科技有限公司025-52760886 13073455575 · [email protected]
河南赢创生物科技有限公司16650615803 · [email protected]
苏州启航生物科技有限公司18151111370 · [email protected]
河南多贝化工有限公司0370-6999054 17550096163 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
安徽合诺生物科技有限公司0555-2761852
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
常州稀亚生物科技有限公司
Related reactions
11 records
Compound notes
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