Basic information
- CAS
386704-04-7- Standard SMILES
OCc1ccc(C(F)(F)F)nc1- InChIKey
CBSXUFWMVOAHTK-UHFFFAOYSA-N- Molecular formula
- C7H6F3NO
- Average molar mass
- 177.12 g/mol
- Monoisotopic mass
- 177.0401483
Names & identifiers
- Preferred name
- 6-(Trifluoromethyl)pyridine-3-methanol
- IUPAC
- [6-(trifluoromethyl)-3-pyridinyl]methanol
- English name
- 6-(Trifluoromethyl)pyridine-3-methanol
- Molecular formula
- C7H6F3NO
- Molecular weight
- 177.12
Names & synonyms
386704-04-76-(Trifluoromethyl)pyridine-3-methanolDTXSID30394247RefChem:306994DTXCID20345107626-601-3(6-(trifluoromethyl)pyridin-3-yl)methanol[6-(trifluoromethyl)pyridin-3-yl]methanol[6-(Trifluoromethyl)-3-pyridyl]methanolMFCD018626482-(trifluoromethyl)pyridine-5-methanol5-(hydroxymethyl)-2-(trifluoromethyl)pyridine
Show more names
RARECHEM AL BD 12316-TRIFLUOROMETHYL-3-PYRIDYLMETHANOL6-TRIFLUOROMETHYL-3-PYRIDINEMETHANOL6-(Trifluoromethyl)pyridine-3-methano(6-(trifluoromethyl)pyridin-3-y1)methanol
3-Pyridinemethanol,6-(trifluoromethyl)-[6-(trifluoromethyl)-3-pyridinyl]methanol6-(trifluoromethyl)pyridin-3-methanol3-Pyridinemethanol, 6-(trifluoromethyl)-SCHEMBL132198SCHEMBL452178SCHEMBL29525326SBB054790
Database identifiers
- CAS
386704-04-7- PubChem CID
- 3613895
- DTXSID
DTXSID30394247- EC Number
- 626-601-3
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
- 100 · 100-102/0.75mm
- Density
- 1.362 · 1.362±0.06 g/cm3(Predicted)
- Flash point
- 110 °C · 110 °C
- storage temp.
- Inert atmosphere,Room Temperature
- form
- liquid
- pka
- 13.36 · 13.36±0.10(Predicted)
- color
- Brown
- InChI
- InChI=1S/C7H6F3NO/c8-7(9,10)6-2-1-5(4-12)3-11-6/h1-3,12H,4H2
- InChIKey
- CBSXUFWMVOAHTK-UHFFFAOYSA-N
- SMILES
- C1=NC(C(F)(F)F)=CC=C1CO
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 5 · GHS05,GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301-H315-H317-H318-H335
- Precautionary statements
- 261 · P261-P264-P280-P301+P310-P302+P352-P305+P351+P338
Safety & regulation
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- ridadr
- UN 2810 6.1/PG 3
- hs_code
- 2933399990
- risk_code
- 25-37/38-41-43
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS06
- hazard_code
- T,Xi
- hazard_note
- Irritant
- safety_code
- 26-36/37/39-45
- Storage Class
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- target organs
- Respiratory system
- Hazard statements
- H301-H315-H317-H318-H335
- Hazard Classifications
- Acute Tox. 3 OralEye Dam. 1Skin Irrit. 2Skin Sens. 1STOT SE 3
- Precautionary statements
- P261-P264-P280-P301+P310-P302+P352-P305+P351+P338
Chemistry & industry
Applications
Uses[6-(Trifluoromethyl)-3-Pyridyl]Methanol is heterocyclic organic compound, used as an intermediate.
UsesReactant involved in synthesis of human 11β-hydroxysteroid dehydrogenase type 1
Upstream & downstream products
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]
苏州启航生物科技有限公司18151111370 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
上海遐瑞医药科技有限公司+86-021-61551413 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Related reactions
18 records
Compound notes
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