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| CAS No.: | 95-52-3 |
|---|---|
| Name: | 2-Fluorotoluene |
| Article Data: | 90 |
| Molecular Structure: | |
|
|
|
| Formula: | C7H7F |
| Molecular Weight: | 110.131 |
| 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]; |
| EINECS: | 202-428-5 |
| Density: | 1.001 g/cm3 |
| Melting Point: | -62 °C |
| Boiling Point: | 116.3 °C at 760 mmHg |
| Flash Point: | 11.4 °C |
| Solubility: | immiscible with water |
| Appearance: | clear colorless to slightly yellow liquid |
| Hazard Symbols: |
 F, Xi
|
| Risk Codes: | 11-36/37/38 |
| Safety: | 16-26-33-36-37/39 |
| Transport Information: | UN 2388 3/PG 2 |
| PSA: | 0.00000 |
| LogP: | 2.13410 |
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| Conditions | Yield |
|---|---|
| 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% |
| Conditions | Yield |
|---|---|
| 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 | Yield |
|---|---|
| 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 | Yield |
|---|---|
| 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 | Yield |
|---|---|
| With magnesium at 600℃; | A 7% B 5% C 73% |
- 19296-22-1
toluene-2-diazonium ; hexafluoro phosphate
- 95-52-3
2-Fluorotoluene
| Conditions | Yield |
|---|---|
| With boron trifluoride diethyl etherate at 120 - 125℃; for 1h; | 72% |
| Conditions | Yield |
|---|---|
| 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. |
| 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% |
| Conditions | Yield |
|---|---|
| With lithium hydroxide monohydrate; silver trifluoromethanesulfonate; Selectfluor In ethyl acetate at 55℃; Sealed tube; | A 71% B n/a |
| Conditions | Yield |
|---|---|
| With Al2CuF8 Gas phase; Inert atmosphere; | A 60% B 7% |
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Chemistry
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
Uses
o-Fluorotoluene (CAS NO.95-52-3) can be used for intermediates of medicine and pesticide.
Toxicity Data With Reference
| 1. | orl-brd LD50:100 mg/kg | AECTCV Archives of Environmental Contamination and Toxicology. 12 (1983),355. |
Consensus Reports
Reported in EPA TSCA Inventory.
Safety Profile
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: 16-26-33-36-37/39
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
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.