Basic information
- CAS
650615-78-4- Standard SMILES
O=[N+]([O-])c1cc(C(F)(F)F)ccc1Sc1ccc(CBr)cc1- InChIKey
PIDISHAWZWUURP-UHFFFAOYSA-N- Molecular formula
- C14H9BrF3NO2S
- Average molar mass
- 392.19 g/mol
- Monoisotopic mass
- 390.94895
Names & identifiers
- Preferred name
- 1-{[4-(Bromomethyl)phenyl]thio}-2-nitro-4-(trifluoromethyl)benzene
- IUPAC
- 1-[4-(bromomethyl)phenyl]sulfanyl-2-nitro-4-(trifluoromethyl)benzene
- English name
- 1-(((4-Bromomethyl)phenyl)thio)-2-nitro-(trifluoromethyl)benzene
- Molecular formula
- C14H9BrF3NO2S
- Molecular weight
- 392.19
Names & synonyms
650615-78-41-{[4-(bromomethyl)phenyl]thio}-2-nitro-4-(trifluoromethyl)benzene1-[4-(bromomethyl)phenyl]sulfanyl-2-nitro-4-(trifluoromethyl)benzene1-{[4-(bromomethyl)phenyl]sulfanyl}-2-nitro-4-(trifluoromethyl)benzene(4-(Bromomethyl)phenyl)(2-nitro-4-(trifluoromethyl)phenyl)sulfane1-(((4-BROMOMETHYL)PHENYL)THIO)-2-NITRO-(TRIFLUOROMETHYL)BENZENESCHEMBL13137736DTXSID20347949PIDISHAWZWUURP-UHFFFAOYSA-NMFCD015705171-[(4-Bromomethyl)phenyl)thio)-2-nitro-(trifluoromethyl)benzeneBenzene, 1-(4-bromomethylphenylthio)-4-trifluoromethyl-2-nitro-
Show more names
1-([4-(BROMOMETHYL)PHENYL]THIO)-2-NITRO-4-(TRIFLUOROMETHYL)BENZENEBenzene, 1-[[4-(bromomethyl)phenyl]thio]-2-nitro-4-(trifluoromethyl)-1-[(4-BROMOMETHYL)PHENYL)THIO)-2-NITRO-(TRIFLUOROMETHYL)BENZENE: TECH.
1-([4-(Bromomethyl)phenyl]sulfanyl)-2-nitro-4-(trifluoromethyl)benzene #
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 71.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 383
Physicochemical properties
- Melting point
- 92 · 92-104°C
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36/37/39
- HS Code
- 2930909899 · 2930909899
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
- 2930909899
- risk_code
- 36/37/38
- safety_code
- 26-36/37/39
Chemistry & industry
Suppliers1 total
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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