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CAS No.: | 352-70-5 |
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Name: | 3-Fluorotoluene |
Article Data: | 76 |
Molecular Structure: | |
Formula: | C7H7F |
Molecular Weight: | 110.131 |
Synonyms: | Toluene, m-fluoro- (8CI);m-Fluorotoluene;Toluene, m-fluoro-;1-chloro-4-fluoro-benzene;1-Fluoro-3-methylbenzene;1-Methyl-3-fluorobenzene;Benzene, 1-fluoro-3-methyl-;m-Fluorotoluene [UN2388] [Flammable liquid]; |
EINECS: | 206-524-8 |
Density: | 1.001 g/cm3 |
Melting Point: | -87 °C |
Boiling Point: | 118.2 °C at 760 mmHg |
Flash Point: | 9.4 °C |
Solubility: | immiscible with water |
Appearance: | clear colorless to light yellow liquid |
Hazard Symbols: | F, Xi |
Risk Codes: | 11-36/37/38 |
Safety: | 16-26-36-37/39 |
Transport Information: | UN 2388 3/PG 2 |
PSA: | 0.00000 |
LogP: | 2.13410 |
Conditions | Yield |
---|---|
With pyridine hydrogenfluoride; sodium nitrite 1.) O deg C, 20 min, 2.) 70 deg C, 1 h; | 98% |
Stage #1: 1-amino-3-methylbenzene With hydrogen fluoride at -5 - 0.5℃; Flow reactor; Large scale; Stage #2: With nitrosylsulfuric acid at 0.5 - 2℃; Flow reactor; Large scale; | 98.3% |
Stage #1: 1-amino-3-methylbenzene With hydrogen fluoride at 0℃; for 3h; Stage #2: With sodium nitrite at -5 - 35℃; for 4h; | 90.1% |
3-fluoro-1-methyl-2,5-cyclohexadiene-1-carboxylic acid
m-Fluorotoluene
Conditions | Yield |
---|---|
With chlorosulfonic acid In dichloromethane at 0℃; for 0.166667h; | 82% |
trifluorormethanesulfonic acid
3-methylbenzenediazonium tetrafluoroborate
A
m-Fluorotoluene
B
3-tolyl triflate
Conditions | Yield |
---|---|
at 90℃; for 1h; | A n/a B 75% |
Conditions | Yield |
---|---|
With Al2CuF8 Gas phase; Inert atmosphere; | A 71% B 5% C 10% |
With silver fluoride at 350℃; Product distribution / selectivity; Gas phase; | A 20.8% B 0.6% C 35.8% |
1-(Bromomethyl)-3-fluorobenzene
A
m-Fluorotoluene
B
1,2-bis(3-fluorophenyl)ethane
Conditions | Yield |
---|---|
With magnesium at 600℃; | A 12% B 67% |
m-Fluorotoluene
Conditions | Yield |
---|---|
With lithium hydroxide monohydrate; silver trifluoromethanesulfonate; Selectfluor In ethyl acetate at 55℃; Sealed tube; | 66% |
With copper(I) trifluoromethanesulfonate bis(trimethylacetonitrile) complex; 1-fluoro-2,4,6-trimethylpyridinium trifluoromethanesulfonate In ethyl acetate at 40℃; for 12h; Inert atmosphere; Glovebox; | 67 %Spectr. |
m-Fluorotoluene
Conditions | Yield |
---|---|
With boron trifluoride diethyl etherate at 120 - 125℃; for 1h; | 65% |
Conditions | Yield |
---|---|
With Al2CuF8 Gas phase; Inert atmosphere; | 61% |
Conditions | Yield |
---|---|
With Al2CuF8 Gas phase; Inert atmosphere; | A 60% B 7% |
Conditions | Yield |
---|---|
Stage #1: m-Toluic acid With tetrakis(acetonitrile)copper(I)tetrafluoroborate; tetrabutylammonium tetra(tert-butyl alcohol) coordinate fluoride; copper(II) bis(trifluoromethanesulfonate) In acetonitrile at 23℃; for 0.5h; Sealed tube; Inert atmosphere; Stage #2: In acetonitrile at 35℃; Irradiation; Sealed tube; Inert atmosphere; | 57% |
Molecular Structure of 3-Fluorotoluene (CAS NO.352-70-5):
IUPAC Name: 1-Fluoro-3-methylbenzene
Molecular Formula: C7H7F
Molecular Weight: 110.13 g/mol
Density: 1.001 g/cm3
Melting Point: -87 °C
Boiling Point: 118.2 °C at 760 mmHg
Flash Point: 9.4 °C
Water Solubility: immiscible
Index of Refraction: 1.477
Molar Refractivity: 31.07 cm3
Molar Volume: 109.9 cm3
Surface Tension: 27.6 dyne/cm
Enthalpy of Vaporization: 34.16 kJ/mol
Vapour Pressure: 20.1 mmHg at 25 °C
XLogP3: 2.7
H-Bond Acceptor: 1
Exact Mass: 110.053178
MonoIsotopic Mass: 110.053178
Canonical SMILES: CC1=CC(=CC=C1)F
InChI: InChI=1S/C7H7F/c1-6-3-2-4-7(8)5-6/h2-5H,1H3
InChIKey: BTQZKHUEUDPRST-UHFFFAOYSA-N
EINECS: 206-524-8
Product Categories: Aromatic Hydrocarbons (substituted) & Derivatives; Aryl; C7; Halogenated Hydrocarbons
3-Fluorotoluene (CAS NO.352-70-5) is used as intermediates of medicine and pesticide.
Hazard Codes: F, Xi
Risk Statements: 11-36/37/38
R11:Highly flammable.
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 16-26-36-37/39
S16:Keep away from sources of ignition.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
S37/39:Wear suitable gloves and eye/face protection.
RIDADR: UN 2388 3/PG 2
WGK Germany: 2
RTECS: XT2578000
Hazard Note: Flammable/Irritant
TSCA: T
HazardClass: 3
PackingGroup: II
HS Code: 29036990
3-Fluorotoluene (CAS NO.352-70-5) is also named as 1-Fluoro-3-methylbenzene ; 1-Methyl-3-fluorobenzene ; Benzene, 1-fluoro-3-methyl- ; NSC 8860 ; m-Fluorotoluene . 3-Fluorotoluene (CAS NO.352-70-5) is clear colorless to light yellow liquid with an aromatic odor. It is highly flammable. 3-Fluorotoluene may be incompatible with strong oxidizing and reducing agents. It is also may be incompatible with many amines, nitrides, azo/diazo compounds, alkali metals, and epoxides. 3-Fluorotoluene generates toxic fluoride fumes when burned.Inhalation causes upper respiratory irritation. Irritating to skin and eyes. It may be absorbed through the skin. Prolonged exposure may result in systemic toxic effects. It is harmful if swallowed.