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Benzene, 1-nitro-4-(1,1,2,2-tetrafluoroethoxy)-

HCID 119893
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Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
28202-32-6
Standard SMILES
O=[N+]([O-])c1ccc(OC(F)(F)C(F)F)cc1
InChIKey
VNSOCOWFQDIYTN-UHFFFAOYSA-N
Molecular formula
C8H5F4NO3
Average molar mass
239.12 g/mol
Monoisotopic mass
239.02055567

Names & identifiers

Preferred name
Benzene, 1-nitro-4-(1,1,2,2-tetrafluoroethoxy)-
IUPAC
1-nitro-4-(1,1,2,2-tetrafluoroethoxy)benzene
English name
4-(1,1,2,2-Tetrafluoroethoxy)nitrobenzene
Molecular formula
C8H5F4NO3
Molecular weight
239.12

Names & synonyms

1-nitro-4-(1,1,2,2-tetrafluoroethoxy)benzeneBenzene, 1-nitro-4-(1,1,2,2-tetrafluoroethoxy)-EINECS 248-899-0RefChem:56252928202-32-64-(1,1,2,2-Tetrafluoroethoxy)nitrobenzeneMFCD00042450PJR9VPW7D8alpha,alpha,beta,beta-Tetrafluoro-p-nitrophenetoleSCHEMBL8611079DTXSID8067365SBB099058
Show more names
SALOR-INT L497703-1EALABOTEST-BB LT002331444-TETRAFLUOROETHOXYNITROBENZENE4-(1,1,2,2-Tetrafluoroethoxy)-1-nitrobenzene1,1,2,2-Tetrafluoroethyl 4-nitrophenyl ether4-(1,1,2,2-Tetrafluoroethoxy)nitrobenzene98%4-(1,1,2,2-Tetrafluoroethoxy)nitrobenzene 98%
AKOS001053135NS00050485ST509982611-nitro-4-(1,1,2,2-tetrafluoroethoxy)-benzeneZ56922084

Database identifiers

CAS
28202-32-6
PubChem CID
119893
DTXSID
DTXSID8067365
UNII
PJR9VPW7D8
EC Number
248-899-0
Nikkaji
J250.674B

Properties

Computed structural properties

XLogP
3.3
Topological polar surface area
55.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
7
Rotatable bonds
3
Heavy atoms
16
Formal charge
0
Complexity
248

Physicochemical properties

Melting point
43 · 43-45°C
Boiling point
66 · 66-68/1mm
Density
1.48 · 1.48
refractive index
1.4537 · 1.4537
Flash point
100 · >100
EPA Substance Registry System
1 · Benzene, 1-nitro-4-(1,1,2,2-tetrafluoroethoxy)- (28202-32-6)
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
302 · H302-H319
Precautionary statements
305 · P305+P351+P338
Hazard Codes
T
Risk Statements
23 · 23/24/25
Safety Statements
26 · 26-36/37/39
RIDADR
2810 · 2810
TSCA
TSCA listed
HazardClass
TOXIC
HS Code

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 4 items

Warning

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

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationS - indicates a substance that is identified in a final Significant New Use Rule.
Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

tsca
TSCA listed
ridadr
2810
hs_code
2909309090
risk_code
23/24/25
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
T
safety_code
26-36/37/39
hazard_class
TOXIC
Hazard statements
H302-H319
Precautionary statements
P305+P351+P338

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationBenzene, 1-nitro-4-(1,1,2,2-tetrafluoroethoxy)-: INACTIVE

Related reactions

3 records
New reaction record
HRID 845524 reaction equation
HRID 845524As reactantuspto-grants-1988_07
HRID 1120472 reaction equation
HRID 1120472As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)
HRID 1584000 reaction equation
HRID 1584000As reactantuspto-grants-1985_11

Compound notes

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