Basic information
- CAS
346-44-1- Standard SMILES
O=[N+]([O-])c1cc(C(F)(F)F)ccc1Sc1ccccc1- InChIKey
UBCNQWMQLBEUOC-UHFFFAOYSA-N- Molecular formula
- C13H8F3NO2S
- Average molar mass
- 299.27 g/mol
- Monoisotopic mass
- 299.02278416
Names & identifiers
- Preferred name
- alpha,alpha,alpha-Trifluoro-3-nitro-4-(phenylthio)toluene
- IUPAC
- 2-nitro-1-phenylsulfanyl-4-(trifluoromethyl)benzene
- English name
- alpha,alpha,alpha-trifluoro-3-nitro-4-(phenylthio)toluene
- Molecular formula
- C13H8F3NO2S
- Molecular weight
- 299.27
Names & synonyms
346-44-1alpha,alpha,alpha-Trifluoro-3-nitro-4-(phenylthio)toluene2-nitro-1-(phenylsulfanyl)-4-(trifluoromethyl)benzene2-Nitro-4-(trifluoromethyl)phenyl phenyl sulfide(2-nitro-4-(trifluoromethyl)phenyl)(phenyl)sulfane2-nitro-1-phenylsulfanyl-4-(trifluoromethyl)benzeneMFCD02648645Benzene, 2-nitro-1-(phenylthio)-4-(trifluoromethyl)-Benzene, 1-trifluoromethyl-3-nitro-4-phenylthio-EINECS 206-470-5D8LSM6QB2T2-Nitro-1-(phenylthio)-4-(trifluoromethyl)benzene
Show more names
(2-nitro-4-(trifluoromethyl)phenyl)phenylthioether
Benzene,2-nitro-1-(phenylthio)-4-(trifluoromethyl)-SCHEMBL11709219DTXSID70188167STK764190AKOS0017423773-nitro-4-(phenylthio)-benzotrifluorideST4060971CS-0362851
Database identifiers
- CAS
346-44-1- PubChem CID
- 67667
- DTXSID
DTXSID70188167- UNII
- D8LSM6QB2T
- EC Number
- 206-470-5
- Nikkaji
- J193.801K
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 71.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 339
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers3 total
无锡丽恒昇生物医药科技有限公司15250805028 15250805028 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
4 records
Compound notes
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