Basic information
- CAS
2599-73-7- Standard SMILES
Cc1cccc(F)c1- InChIKey
BTQZKHUEUDPRST-UHFFFAOYSA-N- Molecular formula
- C7H7F
- Average molar mass
- 110.13 g/mol
- Monoisotopic mass
- 110.05317844
Overview
3-fluorotoluene appears as a colorless liquid with an aromatic odor. Boiling point 239 °C. Flash point 63 °F. Density 0.991 g / cm3 --- may float or sink in water. (USCG, 1999)
Names & identifiers
- Preferred name
- m-Fluorotoluene
- IUPAC
- 1-fluoro-3-methylbenzene
- English name
- 3-Fluorotoluene
- Molecular formula
- C7H7F
- Molecular weight
- 110.13
Names & synonyms
3-Fluorotoluene352-70-51-Fluoro-3-methylbenzeneM-FLUOROTOLUENEBenzene, 1-fluoro-3-methyl-Toluene, m-fluoro-1-Methyl-3-fluorobenzeneF72W445DQ0NSC 8860NSC-8860EINECS 206-524-8M-FLUOROTOLUENE [MI]
Show more names
3-FLUOROBENZENE3-FluortoluolJACS-352-70-5Fluorotoluene2m-Fluro Toluenetoluene,3-fluoro-Toluene,m-fluoro-
DTXSID2059855EC 206-524-83fluorotoluenemTolyl fluorideToluene, mfluoro1Fluoro3methylbenzene1Methyl3fluorobenzeneM-TOLYL FLUORIDE
Database identifiers
- CAS
2599-73-7、352-70-5- PubChem CID
- 9606
- DTXSID
DTXSID2059855- ChEMBL
CHEMBL345698- UNII
- F72W445DQ0
- EC Number
- 206-524-8
- Nikkaji
- J61.495E
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 70.8
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Halogenated Monoaromatics
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Density0.9986 at 68 °F (USCG, 1999) - Less dense than water; will float
Flash Point49 °F (USCG, 1999)
Boiling Point240.8 °F at 760 mmHg (USCG, 1999)
Melting Point-125.9 °F (USCG, 1999)
Vapor Pressure
42.39 mmHg (USCG, 1999)
21.8 [mmHg]
Physical Description
3-fluorotoluene appears as a colorless liquid with an aromatic odor. Boiling point 239 °C. Flash point 63 °F. Density 0.991 g / cm3 --- may float or sink in water. (USCG, 1999)
Colorless liquid; [Merck Index] Aromatic odor; [Alfa Aesar MSDS]
Physicochemical properties
- Melting point
- -87 °C · -87 °C
- Boiling point
- 115 °C · 115 °C(lit.)
- Density
- 0.991 g/mL · 0.991 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.469(lit.)
- Flash point
- 49 °F · 49 °F
- storage temp.
- 30 °C · Store below +30°C.
- form
- clear liquid
- color
- Colorless to Almost colorless
- Specific Gravity
- 0.991 · 0.991
- Water Solubility
- immiscible
- Merck
- 14 · 14,4180
- BRN
- 1903631 · 1903631
- Dielectric constant
- 5.42 · 5.4199999999999999
- InChI
- 1S/C7H7F/c1-6-3-2-4-7(8)5-6/h2-5H,1H3
- InChIKey
- BTQZKHUEUDPRST-UHFFFAOYSA-N
- SMILES
- Cc1cccc(F)c1
- LogP
- 2.75 · 2.75
- CAS DataBase Reference
- 352 · 352-70-5(CAS DataBase Reference)
- FDA UNII
- 72 W445DQ0 · F72W445DQ0
- NIST Chemistry Reference
- 1 · Benzene, 1-fluoro-3-methyl-(352-70-5)
- EPA Substance Registry System
- m-Fluorotoluene (352-70-5)
- 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,Xi
- Risk Statements
- 11 · 11-36/37/38
- Safety Statements
- 16 · 16-26-36-37/39
- RIDADR
- 2388 · UN 2388 3/PG 2
- WGK Germany
- 2 · 2
- RTECS
- 2578000 · XT2578000
- 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 · Flam. Liq. 2
- REACH Registrations
- Inactive
- 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
This chemical does not meet GHS hazard criteria for 44% (37 of 84) of reports.
Danger
H225 (56%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, 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 84 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Status: Cease Manufacture Update: 22-05-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/6237
3-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: May contain toxic fluoride fumes.
Health HazardsInhalation causes upper respiratory irritation. Irritating to skin and eyes. May be absorbed through the skin. Prolonged exposure may result in systemic toxic effects. Harmful if swallowed. (USCG, 1999)
Hazards Summary
An irritant; May cause smarting and reddening of skin if spilled and allowed to remain on clothes; Can be absorbed through skin; Harmful by ingestion; [CHRIS] A mild skin and eye irritant; Causes respiratory tract irritation; [Alfa Aesar MSDS] See m-Chlorotoluene and 4-Chlorotoluene.
Reactive GroupAryl Halides
Reactivity AlertsHighly Flammable
Reactivity Profile3-FLUOROTOLUENE may be incompatible with strong oxidizing and reducing agents. Also may be incompatible with many amines, nitrides, azo/diazo compounds, alkali metals, and epoxides. Generates toxic fluoride fumes when burned.
Air and Water ReactionsHighly flammable.
Hazard Classes and CategoriesFlam. Liq. 2 (56%)
Safety & protection
Fire FightingFire Extinguishing Agents: Small fires: dry chemical, CO2, water spray or foam; large fires: water spray, fog or foam. (USCG, 1999)
First AidINHALATION: Move to fresh air. If not breathing, give artificial respiration. if breathing is difficult, give oxygen.
Nonfire Spill ResponseExcerpt from ERG Guide 130 [Flammable Liquids (Water-Immiscible / Noxious)]:
Isolation and EvacuationExcerpt from ERG Guide 130 [Flammable Liquids (Water-Immiscible / Noxious)]:
Personal Protective Equipment (PPE)Wear self-contained positive pressure breathing apparatus and full protective clothing. (USCG, 1999)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- XT2578000
- ridadr
- UN 2388 3/PG 2
- hs_code
- 29036990
- risk_code
- 11-36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS07
- hazard_code
- F,Xi
- hazard_note
- Flammable/Irritant
- safety_code
- 16-26-36-37/39
- 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)
- REACH Registrations
- Inactive
- 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
General Manufacturing InformationBenzene, 1-fluoro-3-methyl-: ACTIVE
Applications
Uses3-Fluorotoluene was used in gas phase selective synthesis of 3-fluorobenzaldehyde. It was used in generation of tolyl cations by chemical ionization in mass spectrometry.
General DescriptionA colorless liquid with an aromatic odor. Boiling point 239°C. Flash point 63°F. Density 0.991 g / cm3---may float or sink in water.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
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Related reactions
27 records
Compound notes
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