ChemicalBook--->CAS DataBase List--->88-30-2

88-30-2

88-30-2 Structure

88-30-2 Structure
IdentificationMore
[Name]

4-NITRO-3-(TRIFLUOROMETHYL)PHENOL
[CAS]

88-30-2
[Synonyms]

2-NITRO-5-HYDROXY(TRIFLUOROMETHYL)BENZENE
3-TRIFLUOROMETHYL-4-NITROPHENOL
4-NITRO-3-(TRIFLUOROMETHYL)PHENOL
4-NITRO-A,A,A-TRIFLUORO-M-CRESOL
5-HYDROXY-2-NITROBENZOTRIFLUORIDE
4-nitro-3-(trifluoromethyl)-pheno
4-nitro-3-(trifluoromethyl)phenolsodiumsalt
4-nitro-alpha,alpha,alpha-trifluoro-m-creso
alpha,alpha,alpha-trifluoro-4-nitro-m-creso
alpha,alpha,alpha-Trifluoro-4-nitro-m-cresol
Dowlap F
dowlapf
Lamprecid
m-Cresol, 4-nitro-alpha,alpha,alpha-trifluoro-
m-Cresol, alpha,alpha,alpha-trifluoro-4-nitro-
m-trifluoromethyl-pheno
Phenol, 4-nitro-3-(trifluoromethyl)-
Phenol, m-trifluoromethyl-
TFM
TMF
[EINECS(EC#)]

201-818-2
[Molecular Formula]

C7H4F3NO3
[MDL Number]

MFCD00014714
[Molecular Weight]

207.11
[MOL File]

88-30-2.mol
Chemical PropertiesBack Directory
[Appearance]

yellow crystalline powder
[Melting point ]

76-79 °C(lit.)
[Boiling point ]

135-138 °C0.01 mm Hg(lit.)
[density ]

1.554
[vapor pressure ]

0Pa@20°C
[Fp ]

135-138°C/0.01mm
[storage temp. ]

-20°C
[solubility ]

Methanol[soluble in]
[form ]

Crystalline Powder
[pka]

6.07(at 25℃)
[color ]

Yellow
[Water Solubility ]

15.05g/L@20°C
[Merck ]

14,9253
[BRN ]

2053698
[Henry's Law Constant]

5.2×102 mol/(m3Pa) at 25℃, HSDB (2015)
[InChI]

1S/C7H4F3NO3/c8-7(9,10)5-3-4(12)1-2-6(5)11(13)14/h1-3,12H
[InChIKey]

ZEFMBAFMCSYJOO-UHFFFAOYSA-N
[SMILES]

Oc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O
[LogP]

2.68 at 23℃
[CAS DataBase Reference]

88-30-2(CAS DataBase Reference)
[EPA Substance Registry System]

3-Trifluoromethyl-4-nitrophenol (88-30-2)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302+H312+H332-H315-H319-H335
[Precautionary statements ]

P261-P280-P301+P312-P302+P352+P312-P304+P340+P312-P305+P351+P338
[Hazard Codes ]

Xn,Xi
[Risk Statements ]

R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S28:After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer) .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
[RIDADR ]

2588
[WGK Germany ]

3
[RTECS ]

GP3520000
[Hazard Note ]

Irritant
[REACH Registrations]

Active
[HazardClass ]

6.1(b)
[PackingGroup ]

III
[HS Code ]

29089990
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Dermal
Acute Tox. 4 Inhalation
Acute Tox. 4 Oral
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
[Hazardous Substances Data]

88-30-2(Hazardous Substances Data)
[Toxicity]

LD50 oral in mammal (species unspecified): 500mg/kg
Hazard InformationBack Directory
[Chemical Properties]

yellow crystalline powder
[Uses]

4-Nitro-3-(trifluoromethyl)phenol is used in preparation of Bicyclic Heteroaryl substituted compounds as PAR4 inhibitors.
[Uses]

Lamprey killer.
[Production Methods]

The production of 3-trifluoromethyl-4-nitrophenol involves a multi-step synthetic route starting with the preparation of 3-(trifluoromethyl)-4-nitroacetanilide, which is then hydrolysed using a mixture of concentrated sulphuric acid and water to yield 3-(trifluoromethyl)-4-nitroaniline. This intermediate undergoes diazotization, forming a diazonium salt that is subsequently hydrolysed in a boiling mixture of xylene and aqueous copper sulphate solution, converting the diazonium group into a hydroxyl group and producing the final phenol compound.
[Flammability and Explosibility]

Notclassified(100%)
[Mechanism of action]

There are three mainmechanisms (i) disruption of mitochondrial function, (ii) ATP depletion, and (iii) Proton-Motive Force Disruption
[Purification Methods]

Crystallise the nitrophenol from *benzene or from pet ether/*benzene mixture. [Beilstein 6 III 1328.]
[Pesticide Type]

Piscicide, Lampricide
Spectrum DetailBack Directory
[Spectrum Detail]

4-NITRO-3-(TRIFLUOROMETHYL)PHENOL(88-30-2)1HNMR
4-NITRO-3-(TRIFLUOROMETHYL)PHENOL(88-30-2)13CNMR
4-NITRO-3-(TRIFLUOROMETHYL)PHENOL(88-30-2)Raman
4-NITRO-3-(TRIFLUOROMETHYL)PHENOL(88-30-2)IR
4-NITRO-3-(TRIFLUOROMETHYL)PHENOL(88-30-2)FT-IR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

4-Nitro-3-(trifluoromethyl)phenol, 99%(88-30-2)
[Alfa Aesar]

4-Nitro-3-(trifluoromethyl)phenol, 97%(88-30-2)
[Sigma Aldrich]

88-30-2(sigmaaldrich)
[TCI AMERICA]

4-Nitro-3-(trifluoromethyl)phenol,>99.0%(GC)(88-30-2)
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