Basic information
- CAS
328-75-6- Standard SMILES
O=[N+]([O-])c1cc(C(F)(F)F)cc(C(F)(F)F)c1- InChIKey
GMUWJDVVXLBMEZ-UHFFFAOYSA-N- Molecular formula
- C8H3F6NO2
- Average molar mass
- 259.1 g/mol
- Monoisotopic mass
- 259.00679766
Names & identifiers
- Preferred name
- alpha,alpha,alpha,alpha',alpha',alpha'-Hexafluoro-5-nitroxylene
- IUPAC
- 1-nitro-3,5-bis(trifluoromethyl)benzene
- English name
- 3,5-Bis(trifluoromethyl)nitrobenzene
- Molecular formula
- C8H3F6NO2
- Molecular weight
- 259.11
Names & synonyms
328-75-61-Nitro-3,5-bis(trifluoromethyl)benzeneBenzene, 1-nitro-3,5-bis(trifluoromethyl)-EINECS 206-336-6AI3-28915GMUWJDVVXLBMEZ-UHFFFAOYSA-alpha,alpha,alpha,alpha',alpha',alpha'-Hexafluoro-5-nitroxyleneDTXSID80186472RefChem:555047DTXCID90108963206-336-6InChI=1/C8H3F6NO2/c9-7(10,11)4-1-5(8(12,13)14)3-6(2-4)15(16)17/h1-3H
Show more names
LABOTEST-BB LT011433703,5-DI(TRIFLUOROMETHYLNITRO)BENZENE3,5-BIS(TRIFLUOROMETHYL)NITROBENZONE1,3-Di(trifluoromethyl)-5-nitrobenzene5-NITRO-1,3-BIS(TRIFLUOROMETHYL)BENZENE3,5-Bis(trifluoromethyl)nitrobenzene 98%A,A,A,A',A',A'-HEXAFLUORO-5-NITRO-M-XYLENE
3,5-Bis(trifluoromethyl)nitrobenzene1,3-Bis(trifluoromethyl)-5-nitrobenzene3,5-di(Trifluoromethyl)nitrobenzeneMFCD000003843,5-bis(trifluoromethyl)-1-nitrobenzeneSCHEMBL1996062SCHEMBL62231133.5-Di(trifluoromethylnitro)benzene
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 272
Physicochemical properties
- Boiling point
- 71 · 71-72 °C(lit.)
- Density
- 1.535 g/mL · 1.535 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.427(lit.)
- Flash point
- 172 °F · 172 °F
- storage temp.
- 2 · 2-8°C
- form
- Liquid
- Specific Gravity
- 1.535 · 1.535
- color
- Clear yellow
- BRN
- 1998251 · 1998251
- CAS DataBase Reference
- 328 · 328-75-6(CAS DataBase Reference)
- NIST Chemistry Reference
- 3 · 3,5-Bis(trifluoromethyl)nitrobenzene(328-75-6)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 227 · H227-H315-H319-H335
- Precautionary statements
- 210 · P210-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P403+P235-P501-P210e-P261-P280a-P305+P351+P338-P405-P501a
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- wgk
- 3
- hs_code
- 29049090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36/37/39-24/25-36-37
- hazard_class
- IRRITANT
- packing_group
- III
- Hazard statements
- H227-H315-H319-H335
- Precautionary statements
- P210-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P403+P235-P501-P210e-P261-P280a-P305+P351+P338-P405-P501a
Chemistry & industry
Applications
Uses3,5-Bis(trifluoromethyl)nitrobenzene is an important intermediate in organic synthesis and can be used to synthesize more complex compounds, including pharmaceuticals, pesticides, fragrances, dyes, and specific molecules in materials science.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海策嵘生物科技有限公司[email protected]
上海衡新化工科技有限公司13917104483; 13917104483 · [email protected]
温州共赢化学有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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