4-Fluoro-3-nitrobenzotrifluoride

HCID 67778CAS 367-86-2
Substructure searchFind similar structures

Basic information

Standard SMILES
O=[N+]([O-])c1cc(C(F)(F)F)ccc1F
InChIKey
HLDFCCHSOZWKAA-UHFFFAOYSA-N
Molecular formula
C7H3F4NO2
Average molar mass
209.1 g/mol
Monoisotopic mass
209.00999122

Names & identifiers

Preferred name
4-Fluoro-3-nitrobenzotrifluoride
IUPAC
1-fluoro-2-nitro-4-(trifluoromethyl)benzene
English name
4-Fluoro-3-nitrobenzotrifluoride
Molecular formula
C7H3F4NO2
Molecular weight
209.1

Names & synonyms

4-Fluoro-3-nitrobenzotrifluoride367-86-2Benzene, 1-fluoro-2-nitro-4-(trifluoromethyl)-3-Nitro-alpha,alpha,alpha,4-tetrafluorotolueneSFN4U7RYL9NSC-10303DTXSID5073169RefChem:1070672DTXCID6039219206-702-51-Fluoro-2-nitro-4-(trifluoromethyl)benzene3-nitro-4-fluorobenzotrifluoride
Show more names
FNBTTIMTEC-BB SBB0099024-Fluoro-3-nitrobenzFluoro-3-nitrobenzotrifluor4-Fluoro-3-nitrobenzofluoride4-Fluoro-3-Nitrobenzotrifluori3-nitro-4-fluorotrifluorotoluol4-fluoro-3-nitrbenzotrifluoride
MFCD00007059EINECS 206-702-5SCHEMBL59613-Nitro-4-fluoro benzotrifluoride2-fluoro-5-trifluoromethyl nitrobenzene2-nitro-4-trifluoromethylfluoro-benzene4-Fluoro-3-nitrobenzotrifluoride, 99%D70871

Database identifiers

CAS
367-86-2
PubChem CID
67778
DTXSID
DTXSID5073169
UNII
SFN4U7RYL9
EC Number
206-702-5
Nikkaji
J193.882G

Properties

Computed structural properties

XLogP
2.2
Topological polar surface area
45.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
0
Heavy atoms
14

Experimental & physicochemical properties

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

Physicochemical properties

Boiling point
92 °C15 · 92 °C15 mm Hg(lit.)
Density
1.494 g/mL · 1.494 g/mL at 25 °C(lit.)
refractive index
20 · n20/D 1.462(lit.)
Flash point
92 °F · 92 °F
storage temp.
Sealed in dry,Room Temperature
solubility
Chloroform (Sparingly), Methanol (Sparingly)

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H226 (87.8%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P262, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 49 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesFlam. Liq. 3 (87.8%)

Safety data

PPE
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk
3
ridadr
UN 1993 3/PG 3
hs_code
29049090
risk_code
10-36/37/38
Signal word
Warning

Chemistry & industry

Applications · 2 items

Uses4-Fluoro-3-nitrobenzotrifluoride was used in pre-column derivatization technique for HPLC with UV/VIS spectrophotometric detection of polyamines. It was also used in the synthesis of:2-nitro-4-trifluoromethylphenylhydrazine, derivatization reagent for 1,2-diol compounds and oxo-steroids[3-(2-nitro-4-trifluoromethylphenyl)aminophenyl]dihydroxyborane, derivatization reagent for 1,2-diol compounds and oxo-steroids1-(3-chlorophenyl)-5-trifluoromethyl-3-hydrobenzimidazol-2-one

Uses4-Fluoro-3-nitrobenzotrifluoride is used in the pre-column derivatization technique for HPLC with UV/VIS spectrophotometric detection of polyamines. It may be used as derivatization reagent for the HPLC determination of polyamines. It was also used in the synthesis of 2-nitro-4-trifluoromethylphenylhydrazine, derivatization reagent for 1,2-diol compounds and oxo-steroids. [3-(2-nitro-4-trifluoromethylphenyl)aminophenyl]dihydroxyborane, derivatization reagent for 1,2-diol compounds and oxo-steroids3 1-(3-chlorophenyl)-5-trifluoromethyl-3-hydrobenzimidazol-2-one

Upstream & downstream products

Suppliers50 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [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]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]

Related reactions

504 records
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Linked notes

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