1,2,3-Trifluoro-4-nitrobenzene

HCID 69871CAS 771-69-7
Substructure searchFind similar structures

Basic information

Standard SMILES
O=[N+]([O-])c1ccc(F)c(F)c1F
InChIKey
ARCACZWMYGILNI-UHFFFAOYSA-N
Molecular formula
C6H2F3NO2
Average molar mass
177.08 g/mol
Monoisotopic mass
177.00376296

Names & identifiers

Preferred name
1,2,3-Trifluoro-4-nitrobenzene
IUPAC
1,2,3-trifluoro-4-nitrobenzene
English name
1,2,3-Trifluoro-4-nitrobenzene
Molecular formula
C6H2F3NO2
Molecular weight
177.08

Names & synonyms

1,2,3-Trifluoro-4-nitrobenzene771-69-72,3,4-Trifluoronitrobenzene4-Nitro-1,2,3-trifluorobenzene2,3,4-trifluoro-1-nitrobenzeneBenzene, 1,2,3-trifluoro-4-nitro-NKN86LZ8MMEINECS 212-238-4ARCACZWMYGILNI-UHFFFAOYSA-DTXSID30227889RefChem:71426DTXCID30150380
Show more names
1,2,3-Trifluoro-4-ni4-chloro-2-fluroaniline4-Trifluoronitrobenzene3,4,5 TRIFLUORONITROBENZEN2,3,4-TRIFLUORONITROBRNZENE1,2,3-Trifluor-4-nitrobenzol2,3-Trifluoro-4-nitrobenzene1,2,3-Trifluoro-4-nitrobenzen
212-238-4ARCACZWMYGILNI-UHFFFAOYSA-NInChI=1/C6H2F3NO2/c7-3-1-2-4(10(11)12)6(9)5(3)8/h1-2HMFCD00041546Trifluoronitrobenzene1,2,3-trifluoro-4-nitro-benzene2,3,4-TrifluornitrobenzeneUNII-NKN86LZ8MM

Database identifiers

CAS
771-69-7
PubChem CID
69871
DTXSID
DTXSID30227889
UNII
NKN86LZ8MM
EC Number
212-238-4
Nikkaji
J106.079A

Properties

Computed structural properties

XLogP
2.1
Topological polar surface area
45.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
0
Heavy atoms
12

Physicochemical properties

Boiling point
92 °C/20 · 92 °C/20 mmHg (lit.)
Density
1.541 g/mL · 1.541 g/mL at 25 °C (lit.)
refractive index
20 · n20/D 1.492(lit.)
Flash point
200 °F · 200 °F
storage temp.
Sealed in dry,Room Temperature
form
clear liquid

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P262, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 83 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

PPE
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk
3
ridadr
UN2810
hs_code
29042090
risk_code
20/21/22-36/37/38
Signal word
Warning

Chemistry & industry

Applications · 3 items

Uses2,3,4-Trifluoronitrobenzene is a useful research chemical.

Uses2,3,4-Trifluoronitrobenzene was employed as starting reagent in the synthesis of ofloxacin. It was also used in the synthesis of the third generation quinolones antibacterial drugs.

General Description2,3,4-Trifluoronitrobenzene is a fluoronitrobenzene and its biotransformation under methanogenic conditions has been studied by semicontinuous and batch tests. 2,3,4-Trifluoronitrobenzene is an important pharmaceutical intermediate.

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]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
山东前元高分子材料有限公司18678041314 18765609661 · [email protected]

Related reactions

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Linked notes

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