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
Show more names
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
- Formal charge
- 0
- Complexity
- 70
Experimental & physicochemical properties
Kovats Retention Index
763.7;767;767;777
785;777.4;757;783
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.)
- Flash point
- 55 °F · 55 °F
- storage temp.
- 30 °C · Store below +30°C.
- form
- Liquid
- Specific Gravity
- 1.001 · 1.001
- color
- Clear colorless to slightly yellow
- explosive limit
- 1.3 % · 1.3%(V)
- Water Solubility
- immiscible
- Merck
- 14 · 14,4180
- BRN
- 1853362 · 1853362
- Dielectric constant
- 4.22 · 4.2199999999999998
- InChI
- 1S/C7H7F/c1-6-4-2-3-5-7(6)8/h2-5H,1H3
- InChIKey
- MMZYCBHLNZVROM-UHFFFAOYSA-N
- SMILES
- Cc1ccccc1F
- LogP
- 2.73 · 2.73-2.74
- CAS DataBase Reference
- 95 · 95-52-3(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 55 XKB3K7H · L55XKB3K7H
- NIST Chemistry Reference
- 1 · Benzene, 1-fluoro-2-methyl-(95-52-3)
- EPA Substance Registry System
- o-Fluorotoluene (95-52-3)
- UNSPSC Code
- 12352101 · 12352101
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 2 · GHS02,GHS07
- Signal word
- Danger
- Hazard statements
- 302 · H302-H315-H319-H225
- Precautionary statements
- 501 · P501-P270-P240-P210-P233-P243-P241-P242-P264-P280-P370+P378-P337+P313-P305+P351+P338-P362+P364-P303+P361+P353-P332+P313-P301+P312+P330-P403+P235
- target organs
- Respiratory system
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- F,Xi
- Risk Statements
- 11 · 11-36/37/38
- Safety Statements
- 16 · 16-26-33-36-37/39
- RIDADR
- 2388 · UN 2388 3/PG 2
- WGK Germany
- 3 · 3
- RTECS
- 2579000 · XT2579000
- Hazard Note
- Flammable/Irritant
- TSCA
- TSCA listed
- HazardClass
- 3 · 3
- PackingGroup
- II
- HS Code
- 29036990 · 29036990
- Storage Class
- 3 · 3 - Flammable liquids
- Hazard Classifications
- 2 STOT · Flam. Liq. 2STOT SE 3
- Toxicity
- 50 orally · LD50 orally in Rabbit: > 5000 mg/kg LD50 dermal Rabbit > 2000 mg/kg
- REACH Registrations
- Active
- Limited Quantities
- 1 L · 1.0 L (0.3 gallon) (liquid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
Safety & regulation
GHS classification
GHS Classification
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
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
Fire Hazards
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)
Safety & protection
First Aid
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
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
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)
Regulatory information
Regulatory Information
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
- Toxicity
- LD50 orally in Rabbit: > 5000 mg/kg LD50 dermal Rabbit > 2000 mg/kg
- risk_code
- 11-36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS07
- hazard_code
- F,Xi
- hazard_note
- Flammable/Irritant
- safety_code
- 16-26-33-36-37/39
- hazard_class
- 3
- Storage Class
- 3 - Flammable liquids
- packing_group
- II
- target organs
- Respiratory system
- Hazard statements
- H302-H315-H319-H225
- Limited Quantities
- 1.0 L (0.3 gallon) (liquid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
- REACH Registrations
- Active
- Hazard Classifications
- Flam. Liq. 2STOT SE 3
- Precautionary statements
- P501-P270-P240-P210-P233-P243-P241-P242-P264-P280-P370+P378-P337+P313-P305+P351+P338-P362+P364-P303+P361+P353-P332+P313-P301+P312+P330-P403+P235
Chemistry & industry
Uses & manufacturing
Applications
UsesIt is employed in organic synthesis.
General DescriptionA colorless liquid with an aromatic odor. May sink or float on water.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
Related reactions
Compound notes
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