p-Fluorotoluene

HCID 9603

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

4-FluorotolueneP-FLUOROTOLUENE352-32-91-Fluoro-4-methylbenzeneBenzene, 1-fluoro-4-methyl-p-FluoromethylbenzeneToluene, p-fluoro-1-Methyl-4-fluorobenzenep-Fluoromethyl benzenep-tolyl fluorideNSC 8861NUD6WZ1B8F
Show more names
p-FluortoluolFluorotoluene3p-Tolylfluoridep-fluoro-toluentoluene,p-fluoro-4-Fluorotoluene98%
EINECS 206-520-6BRN 1362373AI3-28561NSC-8861FLUOROTOLUENE, P-P-FLUOROTOLUENE [MI]DTXSID70598524-05-00-00800 (Beilstein Handbook Reference)

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

Experimental & physicochemical properties

Density1.0007 at 68 °F (USCG, 1999) - Denser than water; will sink
Flash Point105 °F (USCG, 1999)
Boiling Point241.9 °F at 760 mmHg (USCG, 1999)
Melting Point-70.2 °F (USCG, 1999)
Vapor Pressure39.81 mmHg (USCG, 1999)
Physical Description4-fluorotoluene appears as a colorless liquid with an aromatic odor. May float or sink in water. (USCG, 1999)

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

Safety & regulation

GHS classification

GHS Classification · 5 items

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 · 2 items

Chemical: Benzene, 1-fluoro-4-methyl-

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

DOT LabelFlammable Liquid
Fire HazardsSpecial Hazards of Combustion Products: Toxic fumes of fluoride (USCG, 1999)
Health HazardsINHALATION: Irritation of respiratory system. EYES AND SKIN: Severe irritation. INGESTION: Severe internal damage if swallowed. (USCG, 1999)
Reactive GroupAryl Halides
Reactivity AlertsHighly Flammable

Safety & protection

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

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 · 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)Respirator with proper filter, goggles (USCG, 1999)

Regulatory information

Regulatory Information · 2 items

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

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationBenzene, 1-fluoro-4-methyl-: ACTIVE

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.

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]
河北创海生物科技有限公司+86-86-13131129325 · [email protected]

Related reactions

22 records

Compound notes

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