2-Fluorotoluene

HCID 7241

Basic information

CAS
95-52-3
Standard SMILES
Cc1ccccc1F
InChIKey
MMZYCBHLNZVROM-UHFFFAOYSA-N
Molecular formula
C7H7F
Average molar mass
110.13 g/mol
Monoisotopic mass
110.05317839

Names & identifiers

Preferred name
2-Fluorotoluene
IUPAC
1-fluoro-2-methylbenzene
English name
2-Fluorotoluene
Molecular formula
C7H7F
Molecular weight
110.13

Names & synonyms

2-Fluorotoluene95-52-31-Fluoro-2-methylbenzeneO-FLUOROTOLUENEToluene, o-fluoro-1-Methyl-2-fluorobenzeneL55XKB3K7HNSC-8859DTXSID7021811RefChem:87191DTXCID401811202-428-5
Show more names
1-Fluor-2-methylbenzolFC6H4CH3o-Fluortoluol2-Fluortoluolo-fluoro-toluen2-fulorotolueneo-Flouorotoluene
Benzene, 1-fluoro-2-methyl-1-Fluoro-2-methyl-benzeneortho-FluorotolueneMFCD00000322FLUOROTOLUENECHEMBL352215NSC 8859EINECS 202-428-5

Database identifiers

CAS
95-52-3
PubChem CID
7241
DTXSID
DTXSID7021811
ChEMBL
CHEMBL352215
UNII
L55XKB3K7H
EC Number
202-428-5
Nikkaji
J61.496C

Properties

Computed structural properties

XLogP
2.9
Topological polar surface area
0 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
0
Heavy atoms
8

Experimental & physicochemical properties

Density1.0041 at 55.4 °F (USCG, 1999) - Denser than water; will sink
Flash Point55 °F (USCG, 1999)
Boiling Point237.2 °F at 760 mmHg (USCG, 1999)
Melting Point-79.6 °F (USCG, 1999)
Vapor Pressure47.05 mmHg (USCG, 1999)
Physical Description2-fluorotoluene appears as a colorless liquid with an aromatic odor. May sink or float on water. (USCG, 1999)

Physicochemical properties

Melting point
-62 °C · -62 °C (lit.)
Boiling point
113 · 113-114 °C (lit.)
Density
1.001 g/mL · 1.001 g/mL at 25 °C (lit.)
vapor density
3.8 · 3.8 (vs air)
vapor pressure
21 mm · 21 mm Hg ( 20 °C)
refractive index
20 · n20/D 1.473(lit.)

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids];H301 (28.2%): Toxic if swallowed [Danger Acute toxicity, oral];H315 (49%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (49%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H332 (22.1%): Harmful if inhaled [Warning Acute toxicity, inhalation];H335 (94%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 149 reports by companies from 16 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Regulatory Information · 2 items

Status: Active Update: 20-07-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/21591;Status: Cease Manufacture Update: 16-05-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/6214

2-Fluorotoluene: Does not have an individual approval but may be used under an appropriate group standard

DOT LabelFlammable Liquid
Fire Hazards · 1 item

Special Hazards of Combustion Products: May contain toxic fluoride fumes.;Behavior in Fire: Container may explode in heat of fire. Vapor may travel to a source of ignition and flashback. Vapor explosion hazard indoors, outdoors or in sewer. Toxic fluoride fumes may be produced. (USCG, 1999)

Health HazardsInhalation of vapor may cause respiratory irritation. Prolonged and repeated vapor exposures may produce systemic toxic effects. (USCG, 1999)
Reactive GroupAryl Halides
Reactivity AlertsHighly Flammable

Safety & protection

Fire FightingFire Extinguishing Agents: Dry chemical, CO2, or foam (USCG, 1999)
First Aid · 1 item

INHALATION: Move to fresh air. If breathing has stopped, give artificial respiration. If breathing is difficult, give oxygen.;EYES OR SKIN: Flush with running water for at least 15 min.; hold eyelids open if necessary. Remove and isolate contaminated clothing and shoes at the site.;INGESTION: DO NOT INDUCE VOMITING. If victim is unconscious or having convulsions, do nothing except keep victim warm. (USCG, 1999)

Nonfire Spill Response · 1 item

Excerpt from ERG Guide 130 [Flammable Liquids (Water-Immiscible / Noxious)]:;ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area. All equipment used when handling the product must be grounded. Do not touch or walk through spilled material. Stop leak if you can do it without risk. Prevent entry into waterways, sewers, basements or confined areas. A vapor-suppressing foam may be used to reduce vapors. Absorb or cover with dry earth, sand or other non-combustible material and transfer to containers. Use clean, non-sparking tools to collect absorbed material.;LARGE SPILL: Dike far ahead of liquid spill for later disposal. Water spray may reduce vapor, but may not prevent ignition in closed spaces. (ERG, 2024)

Isolation and Evacuation · 1 item

Excerpt from ERG Guide 130 [Flammable Liquids (Water-Immiscible / Noxious)]:;IMMEDIATE PRECAUTIONARY MEASURE: Isolate spill or leak area for at least 50 meters (150 feet) in all directions.;LARGE SPILL: Consider initial downwind evacuation for at least 300 meters (1000 feet).;FIRE: If tank, rail tank car or highway tank is involved in a fire, ISOLATE for 800 meters (1/2 mile) in all directions; also, consider initial evacuation for 800 meters (1/2 mile) in all directions. (ERG, 2024)

Personal Protective Equipment (PPE)Wear self-contained positive pressure breathing apparatus and full protective clothing. (USCG, 1999)

Regulatory information

Regulatory Information · 2 items

Status: Active Update: 20-07-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/21591;Status: Cease Manufacture Update: 16-05-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/6214

2-Fluorotoluene: Does not have an individual approval but may be used under an appropriate group standard

Safety data

PPE
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk
3
tsca
TSCA listed
rtecs
XT2579000
ridadr
UN 2388 3/PG 2
hs_code
29036990

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationBenzene, 1-fluoro-2-methyl-: ACTIVE

Applications

UsesIt is employed in organic synthesis.

General DescriptionA colorless liquid with an aromatic odor. May sink or float on water.

Suppliers100 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]

Related reactions

25 records

Compound notes

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