Basic information
- CAS
1260890-17-2- Standard SMILES
Oc1cnc(C(F)(F)F)cc1Cl- InChIKey
RGVNTWCLBBJKGC-UHFFFAOYSA-N- Molecular formula
- C6H3ClF3NO
- Average molar mass
- 197.54 g/mol
- Monoisotopic mass
- 196.9855259
Names & identifiers
- Preferred name
- 4-Chloro-6-(trifluoromethyl)pyridin-3-ol
- IUPAC
- 4-chloro-6-(trifluoromethyl)pyridin-3-ol
- English name
- 4-Chloro-6-(trifluorMethyl)pyridine-3-ol
- Molecular formula
- C6H3ClF3NO
- Molecular weight
- 197.54
Names & synonyms
4-Chloro-6-(trifluoromethyl)pyridin-3-ol1260890-17-24-Chloro-6-(trifluormethyl)pyridine-3-olDTXSID80695357MFCD11848194AB647874-Chloro-6-(trifluoromethyl)-3-pyridinolDB-0948273-Pyridinol, 4-chloro-6-(trifluoromethyl)-H51100
Database identifiers
- CAS
1260890-17-2- PubChem CID
- 53404289
- DTXSID
DTXSID80695357
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 33.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 163
Physicochemical properties
- Boiling point
- 264.3 · 264.3±35.0 °C(Predicted)
- Density
- 1.56 · 1.560±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C, stored under nitrogen
- pka
- 5.55 · 5.55±0.10(Predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301-H311-H331
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P302+P352-P304+P340-P310-P330-P361-P403+P233-P405-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H301-H311-H331
- Precautionary statements
- P261-P264-P270-P271-P280-P302+P352-P304+P340-P310-P330-P361-P403+P233-P405-P501
Chemistry & industry
Suppliers13 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海华思格医药科技有限公司13611612777 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
西安速加医药科技有限公司029-86115547 17791676824 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
西安峥鎏生物科技有限公司15594552852 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
西安速加医药科技有限公司029-86115547 17791676824 · [email protected]
ATK CHEMICAL COMPANY LIMITED+undefined-21-51877795 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 18651614124 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…