Basic information
- CAS
2194-09-4- Standard SMILES
Cc1ccc(F)cc1- InChIKey
WRWPPGUCZBJXKX-UHFFFAOYSA-N- Molecular formula
- C7H7F
- Average molar mass
- 110.13 g/mol
- Monoisotopic mass
- 110.05317839
Names & identifiers
- Preferred name
- p-Fluorotoluene
- IUPAC
- 1-fluoro-4-methylbenzene
- English name
- p-Fluorotoluene
- Molecular formula
- C7H7F
- Molecular weight
- 110.13
Names & synonyms
Show more names
Database identifiers
- CAS
2194-09-4、352-32-9- PubChem CID
- 9603
- DTXSID
DTXSID7059852- ChEMBL
CHEMBL346605- UNII
- NUD6WZ1B8F
- EC Number
- 206-520-6
- Nikkaji
- J43.544I
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 62
Experimental & physicochemical properties
Kovats Retention Index
770.4;775;775;787
777.7;756
Physicochemical properties
- Melting point
- -56 °C · -56 °C (lit.)
- Boiling point
- 116 °C · 116 °C (lit.)
- Density
- 1 g/mL · 1 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.468(lit.)
- Flash point
- 63 °F · 63 °F
- storage temp.
- Flammables area
- solubility
- 200 mg/l · 200mg/l
- form
- Liquid
- Specific Gravity
- 1 · 1.000
- color
- Clear colorless to slightly yellow
- Water Solubility
- immiscible
- Specific Heat Capacity
- 1.55 J/ · Cp(liquid): 1.55 J/(g·K), at 25℃
- Merck
- 14 · 14,4180
- BRN
- 1362373 · 1362373
- Dielectric constant
- 5.86 · 5.8600000000000003
- Stability
- Volatile
- InChI
- 1S/C7H7F/c1-6-2-4-7(8)5-3-6/h2-5H,1H3
- InChIKey
- WRWPPGUCZBJXKX-UHFFFAOYSA-N
- SMILES
- Cc1ccc(F)cc1
- CAS DataBase Reference
- 352 · 352-32-9(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 6 WZ1B8F · NUD6WZ1B8F
- NIST Chemistry Reference
- 1 · Benzene, 1-fluoro-4-methyl-(352-32-9)
- EPA Substance Registry System
- p-Fluorotoluene (352-32-9)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 2 · GHS02,GHS07
- Signal word
- Danger
- Hazard statements
- 315 · H315-H319-H225
- Precautionary statements
- 501 · P501-P240-P210-P233-P243-P241-P242-P264-P280-P370+P378-P337+P313-P305+P351+P338-P362+P364-P303+P361+P353-P332+P313-P403+P235
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- F,Xn,Xi
- Risk Statements
- 11 · 11-20/21/22-36/37/38
- Safety Statements
- 7 · 7-16-36/37-37/39-26
- RIDADR
- 2388 · UN 2388 3/PG 2
- WGK Germany
- 3 · 3
- RTECS
- 2580000 · XT2580000
- Hazard Note
- Flammable
- TSCA
- TSCA listed
- HazardClass
- 3 · 3
- PackingGroup
- II
- HS Code
- 29036990 · 29036990
- Storage Class
- 3 · 3 - Flammable liquids
- Hazard Classifications
- 2 · Flam. Liq. 2
- 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];H302 (20.9%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (20.9%): Harmful in contact with skin [Warning Acute toxicity, dermal];H315 (77.5%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (77.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H332 (40.6%): Harmful if inhaled [Warning Acute toxicity, inhalation];H335 (58.8%): 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+P317, 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 187 reports by companies from 8 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
Chemical: Benzene, 1-fluoro-4-methyl-
4-Fluorotoluene: Does not have an individual approval but may be used under an appropriate group standard
Safety & protection
First Aid
Get medical aid.;INHALATION: Move to fresh air. Remove contaminated clothing. Keep warm and quiet. If breathing has stopped give artificial respiration.;EYES AND SKIN: Wash with plenty of water.;INGESTION: Give one or two glasses of water or milk. Induce vomiting. Give cathartics. (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
Chemical: Benzene, 1-fluoro-4-methyl-
4-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
- XT2580000
- ridadr
- UN 2388 3/PG 2
- hs_code
- 29036990
- risk_code
- 11-20/21/22-36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS07
- hazard_code
- F,Xn,Xi
- hazard_note
- Flammable
- safety_code
- 7-16-36/37-37/39-26
- hazard_class
- 3
- Storage Class
- 3 - Flammable liquids
- packing_group
- II
- Hazard statements
- 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)
- Hazard Classifications
- Flam. Liq. 2
- Precautionary statements
- P501-P240-P210-P233-P243-P241-P242-P264-P280-P370+P378-P337+P313-P305+P351+P338-P362+P364-P303+P361+P353-P332+P313-P403+P235
Chemistry & industry
Uses & manufacturing
Applications
Usesp-Fluorotoluene is used as an intermediate in pharmaceuticals, pesticides, dyes, and insecticides.
General DescriptionA colorless liquid with an aromatic odor. May float or sink in water.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
Related reactions
Compound notes
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