3-Fluorobenzotrifluoride

CAS No.：401-80-9

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This product is a chemical product/pharmaceutical intermediate. It is not a drug, an active pharmaceutical ingredient (API), or a pharmaceutical-grade material. It has not been granted a drug approval number or a Chemical Drug Substance Approval Notice, has not passed drug-related review and approval, and is not manufactured, tested, or released in accordance with pharmaceutical GMP.
This product is intended solely for non-clinical research, process development, quality studies, further chemical processing, or chemical synthesis. It must not be used in drug-product manufacturing, clinical trials, clinical diagnosis, or administration to humans or animals, or be sold, used as an input, submitted for regulatory filing, or released as an API or pharmaceutical material.
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3-Fluorobenzotrifluoride Basic information

Product Name:	3-Fluorobenzotrifluoride
Synonyms:	3-Flourobenzo trifluride;3-(Trifluoromethyl)phenyl fluoride;3-Fluoro-1-(trifluoromethyl)benzene;benzene,1-fluoro-3-(trifluoromethy;3-Fluorobenzotrifluo;Between the fluorine Benzotrifluoride;3-Fluorobezotrifluoride;Between three fluorine fluorine toluene
CAS:	401-80-9
MF:	C7H4F4
MW:	164.1
EINECS:	206-933-1
Product Categories:	Aromatic Hydrocarbons (substituted) & Derivatives;bc0001
Mol File:	401-80-9.mol

3-Fluorobenzotrifluoride Chemical Properties

Melting point	-81.5°C
Boiling point	101-102 °C(lit.)
density	1.302 g/mL at 25 °C(lit.)
refractive index	n20/D 1.4(lit.)
Fp	45 °F
storage temp.	Sealed in dry,2-8°C
solubility	Chloroform
form	Oil
color	Clear Colourless
Specific Gravity	1.302
BRN	2045664
CAS DataBase Reference	401-80-9(CAS DataBase Reference)
NIST Chemistry Reference	1-Fluoro-3-(trifluoro-methyl)benzene(401-80-9)

Safety Information

Hazard Codes	F,Xi
Risk Statements	11-36/37/38
Safety Statements	16-26-36-24/25-33-7/9
RIDADR	UN 1993 3/PG 2
WGK Germany	3
Hazard Note	Flammable/Irritant
HazardClass	3
PackingGroup	II
HS Code	29039990

MSDS Information

Provider	Language
1-Fluoro-3-(trifluoro-methyl)benzene	English
ACROS	English
SigmaAldrich	English
ALFA	English

3-Fluorobenzotrifluoride Usage And Synthesis

Chemical Properties	Clear colourless to light yellow liquid
Uses	3-Fluorobenzotrifluoride is a fluorniated toluene used in photochemical reactions with aliphatic amines as well as in photocycloaddition reactions.
Uses	3-Fluorobenzotrifluoride was used: as fluorinated aromatic solvent to investigate electrogenerated chemiluminescence of 9,10-diphenylanthracene, rubrene and anthracene used to preparae 2-nitro-5-fluorobenzotrifluoride via nitration reaction

3-Fluorobenzotrifluoride Preparation Products And Raw materials

Raw materials	Sodium nitrite-->m-Toluidine-->1-(Trifluoromethoxy)-3-(trifluoromethyl)benzene-->TRIFLUOROMETHYLHYPOFLUORITE-->4-FLUORO-2-(TRIFLUOROMETHYL)BENZOIC ACID-->4-Bromo-3-fluorobenzotrifluoride-->3-(trifluoromethyl)diazobenzenetetrafluoroborate-->3-(TRIFLUOROMETHYL)PHENYL TRIFLUOROMETHANESULFONATE-->2-FLUORO-6-(TRIFLUOROMETHYL)BENZOIC ACID
Preparation Products	5-Fluoro-2-nitrobenzotrifluoride-->3-FLUOROBENZOTRICHLORIDE-->4-Fluoroanisole-->PERFLUORO(METHYLCYCLOHEXANE)-->2-FLUORO-4-TRIFLUOROMETHYLPHENYLBORONIC ACID, PINACOL ESTER

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