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2-Fluorotoluene

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Name

2-Fluorotoluene

EINECS 202-428-5
CAS No. 95-52-3 Density 1.001 g/cm3
PSA 0.00000 LogP 2.13410
Solubility immiscible with water Melting Point -62 °C
Formula C7H7F Boiling Point 116.3 °C at 760 mmHg
Molecular Weight 110.131 Flash Point 11.4 °C
Transport Information UN 2388 3/PG 2 Appearance clear colorless to slightly yellow liquid
Safety 16-26-33-36-37/39 Risk Codes 11-36/37/38
Molecular Structure Molecular Structure of 95-52-3 (2-Fluorotoluene) Hazard Symbols FlammableF,IrritantXi
Synonyms

Benzene, 1-fluoro-2-methyl-;Toluene, o-fluoro-;1/C7H7F/c1-6-4-2-3-5-7(6)8/h2-5H,1H;1-Methyl-2-fluorobenzene;4-05-00-00799 (Beilstein Handbook Reference);1-fluoro-2-methylbenzene;1-fluoro-2-methyl-benzene;o-Fluorotoluene [UN2388] [Flammable liquid];

Article Data 90

2-Fluorotoluene Synthetic route

95-53-4

o-toluidine

95-52-3

2-Fluorotoluene

Conditions
ConditionsYield
With pyridine hydrogenfluoride; sodium nitrite 1.) O deg C, 20 min, 2.) 55 deg C, 1 h;99%
With hydrogen fluoride; sodium nitrite at -1 - 3℃; for 1h;99.5%
Stage #1: o-toluidine With hydrogen fluoride at -15 - 0.5℃; Flow reactor; Large scale;
Stage #2: With nitrosylsulfuric acid at -5 - 0.5℃; Flow reactor; Large scale;
98.1%
615-37-2

ortho-methylphenyl iodide

95-52-3

2-Fluorotoluene

Conditions
ConditionsYield
With copper(I) trifluoromethanesulfonate bis(trimethylacetonitrile) complex; silver fluoride In N,N-dimethyl-formamide at 140℃; for 22h; Inert atmosphere;96%
446-48-0

o-fluorobenzyl bromide

A

95-52-3

2-Fluorotoluene

B

776-35-2

9,10-dihydrophenanthrene

C

349-38-2

1,2-bis(2-fluorophenyl)ethane

Conditions
ConditionsYield
With magnesium at 600℃;A 11%
B 3%
C 80%
1493-13-6

trifluorormethanesulfonic acid

2093-46-1

2-methylphenyl diazonium tetrafluoroborate

A

95-52-3

2-Fluorotoluene

B

66107-34-4

2-methylphenyl triflate

Conditions
ConditionsYield
at 90℃; for 1h;A n/a
B 75%
345-35-7

2-fluorobenzyl chloride

A

95-52-3

2-Fluorotoluene

B

776-35-2

9,10-dihydrophenanthrene

C

349-38-2

1,2-bis(2-fluorophenyl)ethane

Conditions
ConditionsYield
With magnesium at 600℃;A 7%
B 5%
C 73%
19296-22-1

toluene-2-diazonium ; hexafluoro phosphate

95-52-3

2-Fluorotoluene

Conditions
ConditionsYield
With boron trifluoride diethyl etherate at 120 - 125℃; for 1h;72%
95-48-7

ortho-cresol

95-52-3

2-Fluorotoluene

Conditions
ConditionsYield
With 1,3-bis(2,6-diisopropylphenyl)-2,2-difluoro-2,3-dihydro-1h-imidazole; cesium fluoride; diphenylzinc In 1,4-dioxane at 110℃; for 20h; Product distribution / selectivity; Sealed vial;72%
With 1,3-bis(2,6-diisopropylphenyl)-2,2-difluoro-2,3-dihydro-1h-imidazole; diphenylzinc; cesium fluoride In 1,4-dioxane at 23 - 110℃; for 20.5h; Inert atmosphere;87 %Spectr.
106-43-4

para-chlorotoluene

A

352-32-9

p-fluorotoluene

B

95-52-3

2-Fluorotoluene

C

352-70-5

m-Fluorotoluene

Conditions
ConditionsYield
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%

potassium o-tolyltrifluoroborate

A

95-52-3

2-Fluorotoluene

B

108-88-3

toluene

Conditions
ConditionsYield
With lithium hydroxide monohydrate; silver trifluoromethanesulfonate; Selectfluor In ethyl acetate at 55℃; Sealed tube;A 71%
B n/a
95-49-8

2-methylchlorobenzene

A

95-52-3

2-Fluorotoluene

B

352-70-5

m-Fluorotoluene

Conditions
ConditionsYield
With Al2CuF8 Gas phase; Inert atmosphere;A 60%
B 7%

2-Fluorotoluene Chemical Properties

Molecule structure of o-Fluorotoluene (CAS NO.95-52-3):

IUPAC Name: 1-Fluoro-2-methylbenzene
Molecular Formula: C7H7F
Molecular Weight: 110.13 g/mol
Density: 1.001 g/cm3 
Melting Point: -62 °C
Boiling Point: 116.3 °C at 760 mmHg 
Flash Point: 11.4 °C
Index of Refraction: 1.477
Molar Refractivity: 31.07 cm3
Molar Volume: 109.9 cm3
Surface Tension: 27.6 dyne/cm 
Enthalpy of Vaporization: 33.99 kJ/mol
Vapour Pressure: 21.8 mmHg at 25 °C 
Storage Temp.: flammables area
Water Solubility: immiscible
XLogP3: 2.9 
H-Bond Acceptor: 1
Exact Mass: 110.053178
MonoIsotopic Mass: 110.053178 
Canonical SMILES: CC1=CC=CC=C1F
InChI: InChI=1S/C7H7F/c1-6-4-2-3-5-7(6)8/h2-5H,1H3
InChIKey: MMZYCBHLNZVROM-UHFFFAOYSA-N
EINECS: 202-428-5
Product Categories: Aromatic Hydrocarbons (substituted) & Derivatives; Organics; Aryl; C7; Halogenated Hydrocarbons

2-Fluorotoluene Uses

 o-Fluorotoluene (CAS NO.95-52-3) can be used for intermediates of medicine and pesticide.

2-Fluorotoluene Toxicity Data With Reference

1.    

orl-brd LD50:100 mg/kg

    AECTCV    Archives of Environmental Contamination and Toxicology. 12 (1983),355.

2-Fluorotoluene Consensus Reports

Reported in EPA TSCA Inventory.

2-Fluorotoluene Safety Profile

Hazard Codes: FlammableF, IrritantXi
Risk Statements: 11-36/37/38 
R11:Highly flammable. 
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 16-26-33-36-37/39 
S16:Keep away from sources of ignition. 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S33:Take precautionary measures against static discharges. 
S36:Wear suitable protective clothing. 
S37/39:Wear suitable gloves and eye/face protection.
RIDADR: UN 2388 3/PG 2
WGK Germany: 3
RTECS: XT2579000
Hazard Note: Flammable/Irritant
HazardClass: 3
PackingGroup: II
HS Code: 29036990

2-Fluorotoluene Specification

 o-Fluorotoluene (CAS NO.95-52-3) is also named as 1-Fluoro-2-methylbenzene ; 1-Methyl-2-fluorobenzene ; 2-Fluorotoluene ; 4-05-00-00799 (Beilstein Handbook Reference) ; BRN 1853362 ; NSC 8859 . o-Fluorotoluene (CAS NO.95-52-3) is clear colorless to slightly yellow liquid with an aromatic odor. It is highly flammable and insoluble in water.
o-Fluorotoluene has generally low reactivity. It reacts with strong oxidizing agents and strong reducing agents. Also it may be incompatible with many amines, nitrides, azo/diazo compounds, alkali metals, and epoxides. Inhalation of vapor may cause respiratory irritation. Prolonged and repeated vapor exposures may produce systemic toxic effects.

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