ChemicalBook--->CAS DataBase List--->454-89-7

454-89-7

454-89-7 Structure

454-89-7 Structure
IdentificationMore
[Name]

3-(Trifluoromethyl)benzaldehyde
[CAS]

454-89-7
[Synonyms]

3-TRIFLUORMETHYLBENZALDEHYDE
3-(TRIFLUOROMETHYL)BENZALDEHYDE
A,A,A-TRIFLUORO-3-TOLUALDEHYDE
A,A,A-TRIFLUORO-M-TOLUALDEHYDE
alpha,alpha,alpha-Trifluoro-3-tolualdehyde
ALPHA,ALPHA,ALPHA-TRIFLUORO-M-TOLUALDEHYDE
BENZOTRIFLUORIDE-3-CARBALDEHYDE
MTF-BAD
M-TRIFLUOROMETHYLBENZALDEHYDE
3-(trifluoromethyl)-benzaldehyd
m-Tolualdehyde, alpha,alpha,alpha-trifluoro-
α,α,α-Trifluoro-m-toluylaldehyde
m-Trifluoromethylbenzaldehyde 3-Trifluoromethyl Benzaldehyde
3-TRIFLUOROMETHYLBENZYLDEHYDE
m-Trifluoromethylbenzaldehyde,97%
à,à,à-trifluoro-m-tolualdehyde
3-(Trifluoromethyl)benzaldehyde98%
A,A,A-TRIFLUORO-META-TOLUALDEHYDE
ALPHA,ALPHA,ALPHA-TRIFLUORO-META-TOLUALDEHYDE
m-Trifuoromethylbenzaldehyde
[EINECS(EC#)]

207-228-1
[Molecular Formula]

C8H5F3O
[MDL Number]

MFCD00003373
[Molecular Weight]

174.12
[MOL File]

454-89-7.mol
Chemical PropertiesBack Directory
[Appearance]

CLEAR COLOURLESS TO VERY SLIGHTLY ORANGE LIQUID
[Boiling point ]

83-86 °C30 mm Hg(lit.)
[density ]

1.301 g/mL at 25 °C(lit.)
[refractive index ]

n20/D 1.465(lit.)
[Fp ]

155 °F
[storage temp. ]

Keep in dark place,Sealed in dry,Room Temperature
[solubility ]

Chloroform (Slightly), Methanol (Slightly)
[form ]

Liquid
[color ]

Clear colorless to very slightly orange
[Specific Gravity]

1.301
[Sensitive ]

Air Sensitive
[Detection Methods]

GC,NMR
[BRN ]

2327537
[InChI]

1S/C8H5F3O/c9-8(10,11)7-3-1-2-6(4-7)5-12/h1-5H
[InChIKey]

NMTUHPSKJJYGML-UHFFFAOYSA-N
[SMILES]

[H]C(=O)c1cccc(c1)C(F)(F)F
[CAS DataBase Reference]

454-89-7(CAS DataBase Reference)
[NIST Chemistry Reference]

Benzaldehyde, 3-(trifluoromethyl)-(454-89-7)
[EPA Substance Registry System]

454-89-7(EPA Substance)
Questions And AnswerBack Directory
[Uses]

3-(Trifluoromethyl)benzaldehyde is used as a reagent in the synthesis of 2,3-di- and 2,2,3-trisubstituted-3-methoxycarbonyl-γ-butyrolactones as potent antitumor agents. Also used as a reagent in the synthesis of novel chalcone derivatives as hypoxia-inducible factor (HIF)-1 inhibitors.
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)Environment (GHS09)
GHS07,GHS09
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335-H410
[Precautionary statements ]

P261-P264-P271-P273-P302+P352-P305+P351+P338
[Hazard Codes ]

Xi
[Risk Statements ]

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 .
S36:Wear suitable protective clothing .
[RIDADR ]

UN3082 - class 9 - PG 3 - DOT NA1993 - Environmentally hazardous substances, liquid, n.o.s. HI: all (not BR)
[WGK Germany ]

3
[F ]

10-23
[Hazard Note ]

Irritant
[TSCA ]

T
[REACH Registrations]

Active
[HazardClass ]

IRRITANT
[HS Code ]

29130000
[Storage Class]

10 - Combustible liquids
[Hazard Classifications]

Aquatic Acute 1
Aquatic Chronic 2
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Raw materials And Preparation ProductsBack Directory
[Raw materials]

1,3-Diphenyl-1,1,3,3-tetramethyldisiloxane
[Preparation Products]

3-(3-Trifluoromethylphenyl)propionic acid-->3-(Trifluoromethyl)benzoyl chloride-->3-(Trifluoromethyl)benzyl bromide-->3-(3-(Trifluoromethyl)phenyl)propan-1-ol-->3-(Trifluoromethyl)cinnamic acid-->3,3'-BIS(TRIFLUOROMETHYL)BENZOPHENONE-->3-(trifluoromethyl) Cinnamaldehyde-->3-(TRIFLUOROMETHYL)BENZOYL FLUORIDE-->3'-(TRIFLUOROMETHYL)PROPIOPHENONE-->3-(Trifluoromethyl)benzylamine-->3-(TRIFLUOROMETHYL)BENZALDOXIME
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

alpha,alpha,alpha-Trifluoro-3-tolualdehyde(454-89-7).msds
Hazard InformationBack Directory
[Chemical Properties]

CLEAR COLOURLESS TO VERY SLIGHTLY ORANGE LIQUID
[Synthesis Reference(s)]

Journal of the American Chemical Society, 68, p. 426, 1946 DOI: 10.1021/ja01207a024
[General Description]

Aldol reaction of 3-(trifluoromethyl)benzaldehyde with hydroxyacetone in the aldolase antibody 38C2-ionic liquid system has been investigated.
Spectrum DetailBack Directory
[Spectrum Detail]

3-(Trifluoromethyl)benzaldehyde(454-89-7)MS
3-(Trifluoromethyl)benzaldehyde(454-89-7)1HNMR
3-(Trifluoromethyl)benzaldehyde(454-89-7)13CNMR
3-(Trifluoromethyl)benzaldehyde(454-89-7)IR1
3-(Trifluoromethyl)benzaldehyde(454-89-7)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

alpha,alpha,alpha-Trifluoro-m-tolualdehyde, 97%(454-89-7)
[Alfa Aesar]

3-(Trifluoromethyl)benzaldehyde, 97%(454-89-7)
[Sigma Aldrich]

454-89-7(sigmaaldrich)
[TCI AMERICA]

3-(Trifluoromethyl)benzaldehyde,>95.0%(GC)(454-89-7)
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