Basic information
- CAS
98-15-7- Standard SMILES
FC(F)(F)c1cccc(Cl)c1- InChIKey
YTCGOUNVIAWCMG-UHFFFAOYSA-N- Molecular formula
- C7H4ClF3
- Average molar mass
- 180.55 g/mol
- Monoisotopic mass
- 179.9953623
Overview
M-chlorobenzotrifluoride appears as a water-white liquid with an odor like moth balls. Insoluble in water and denser than water. Toxic by inhalation. Liquid contact may irritate skin and eyes.
Names & identifiers
- Preferred name
- 3-Chlorobenzotrifluoride
- IUPAC
- 1-chloro-3-(trifluoromethyl)benzene
- English name
- 3-Chlorobenzotrifluoride
- Molecular formula
- C7H4ClF3
- Molecular weight
- 180.55
Names & synonyms
3-Chlorobenzotrifluoride98-15-71-Chloro-3-(trifluoromethyl)benzeneM-CHLOROBENZOTRIFLUORIDEBenzene, 1-chloro-3-(trifluoromethyl)-m-Chloro-alpha,alpha,alpha-trifluorotolueneDTXSID4024773VS44Q3D3NRToluene, m-chloro-alpha,alpha,alpha-trifluoro-NSC-10308DTXCID104773m-chloro(trifluoromethyl)benzene
Show more names
3-Chloro-alpha3-Chlorobenzotrifluo3-Chlorbenzotrifluorid3-Chlorbenzotrifluoridem-ChlorBenzotrifluoridechlorobenzotrifluoridesm-chlorobenzotriflouride3-CHLOROTRIFLUOROTOLUENE
m-(Trifluoromethyl)chlorobenzene3-chloro(trifluoromethyl)benzenem-(Trifluoromethyl)phenyl chlorideRefChem:562442202-642-93-Chloro-alpha,alpha,alpha-trifluorotoluenem-Trifluoromethylphenyl chlorideMeta(trifluoromethyl)chlorobenzene
Database identifiers
- CAS
98-15-7
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 132
Experimental & physicochemical properties
PFASPFAS -> PFAS identified in REACH Regulation EC No. 1272/2008
SpringerMaterials PropertiesBoiling point
Flash Point117 °F (NFPA, 2010)
Physical DescriptionM-chlorobenzotrifluoride appears as a water-white liquid with an odor like moth balls. Insoluble in water and denser than water. Toxic by inhalation. Liquid contact may irritate skin and eyes.
Physicochemical properties
- Melting point
- -56 °C · -56 °C (lit.)
- Boiling point
- 137 · 137-138 °C (lit.)
- Density
- 1.331 g/mL · 1.331 g/mL at 25 °C
- refractive index
- 20 · n20/D 1.446(lit.)
- Flash point
- 97 °F · 97 °F
- form
- clear liquid
- color
- Colorless to Almost colorless
- Specific Gravity
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 9.4% (16 of 171) of reports.
Warning
H226 (90.6%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P273, 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 171 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
REACH registered substance: 3-chloro-α,α,α-trifluorotoluene (EC: 202-642-9)
Benzene, 1-chloro-3-(trifluoromethyl)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
DOT LabelFlammable Liquid
Fire HazardsExcerpt from ERG Guide 130 [Flammable Liquids (Water-Immiscible / Noxious)]:
Health HazardsExcerpt from ERG Guide 130 [Flammable Liquids (Water-Immiscible / Noxious)]:
Reactive GroupHalogenated Organic Compounds
Reactivity AlertsHighly Flammable
Reactivity Profile
Simple aromatic halogenated organic compounds are very unreactive; halogenated aliphatic compounds are moderately or very reactive. Both subgroups generally become less reactive as more of their hydrogen atoms are replaced with halogen atoms. Materials in this group are incompatible with strong oxidizing and reducing agents. Also, they are incompatible with many amines, nitrides, azo/diazo compounds, alkali metals, and epoxides.
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzene, 1-chloro-3-(trifluoromethyl)-: ACTIVE
Applications
UsesIntermediate in manufacturing of dyes and pharmaceuticals, dielectrics, insecticides.
Uses3-Chlorobenzotrifluoride is used as an intermediate in organic synthesis, pharmaceuticals, agrochemicals and dyestuff.
General DescriptionA water-white liquid with an odor like moth balls. Flash point between 65-108°F. Insoluble in water and denser than water. Toxic by inhalation. Liquid contact may irritate skin and eyes.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
12 records
Compound notes
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