Basic information
- CAS
238742-86-4- Standard SMILES
O=C(O)c1ccc(CSc2ccc(C(F)(F)F)cn2)o1- InChIKey
MYDIGMNTURCKBI-UHFFFAOYSA-N- Molecular formula
- C12H8F3NO3S
- Average molar mass
- 303.26 g/mol
- Monoisotopic mass
- 303.01769878
Names & identifiers
- Preferred name
- 2-(5-Carboxyfurfurylthio)-5-(trifluoromethyl)pyridine
- IUPAC
- 5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]furan-2-carboxylic acid
- English name
- 2-(5-Carboxyfurfurylthio)-5-(trifluoromethyl)pyridine
- Molecular formula
- C12H8F3NO3S
- Molecular weight
- 303.26
Names & synonyms
238742-86-42-(5-Carboxyfurfurylthio)-5-(trifluoromethyl)pyridine5-(((5-(Trifluoromethyl)pyridin-2-yl)thio)methyl)furan-2-carboxylic acid5-[[5-(trifluoromethyl)pyridin-2-yl]sulfanylmethyl]furan-2-carboxylic acid5-({[5-(trifluoromethyl)pyridin-2-yl]sulfanyl}methyl)furan-2-carboxylic acid5-({[5-(Trifluoromethyl)pyridin-2-yl]thio}methyl)-2-furoic acidMaybridge1_004760HMS555A08DTXSID70371375MYDIGMNTURCKBI-UHFFFAOYSA-N5-[5-(Trifluoromethyl)pyridin-2-yl]thiomethyl)-2-furoic acidMFCD00099971
Show more names
5-([[5-(TRIFLUOROMETHYL)-2-PYRIDYL]THIO]METHYL)-2-FUROIC ACID5-[5-(Trifluoromethyl)pyridin-2-yl]thiomethyl)-2-furoic acid 97%5-({[5-(Trifluoromethyl)pyridin-2-yl]thio}methyl)-2-furoicacid97%2-Furancarboxylic acid, 5-[[[5-(trifluoromethyl)-2-pyridinyl]thio]methyl]-5-[5-(Trifluoromethyl)pyridin-2-yl]thiomethyl)-2-furoic acid, CAS 238742-86-4
AKOS009159477PS-7119SB60929CS-03206325-(((5-(Trifluoromethyl)pyridin-2-yl)thio)methyl)furan-2-carboxylicacid5-[[5-(trifluoromethyl)-2-pyridyl]sulfanylmethyl]furan-2-carboxylic acid2-{[(5-Carboxyfur-2-yl)methyl]sulphanyl}-5-(trifluoromethyl)pyridine, 5-({[5-(Trifluoromethyl)pyridin-2-yl]sulphanyl}methyl)furan-2-carboxylic acid
Database identifiers
- CAS
238742-86-4- PubChem CID
- 2736458
- DTXSID
DTXSID70371375
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 88.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 353
Physicochemical properties
- Melting point
- 176 · 176-178
- Boiling point
- 439.7 · 439.7±45.0 °C(Predicted)
- Density
- 1.53 · 1.53±0.1 g/cm3(Predicted)
- pka
- 3.1 · 3.10±0.10(Predicted)
- form
- solid
- color
- White
- Sensitive
- Stench
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P271-P280
- Hazard Codes
- Xi,Xn
- Risk Statements
- 20 · 20/21/22-36/37/38-22
- Safety Statements
- 26 · 26-36/37/39
- Hazard Note
- Irritant/Stench
- 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.
Safety data
- hs_code
- 2933399990
- risk_code
- 20/21/22-36/37/38-22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,Xn
- hazard_note
- Irritant/Stench
- safety_code
- 26-36/37/39
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P271-P280
Chemistry & industry
Suppliers6 total
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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