ChemicalBook--->CAS DataBase List--->98-15-7

98-15-7

98-15-7 Structure

98-15-7 Structure
IdentificationMore
[Name]

3-Chlorobenzotrifluoride
[CAS]

98-15-7
[Synonyms]

1-CHLORO-3-(TRIFLUOROMETHYL)BENZENE
3-CHLORO-ALPHA,ALPHA,ALPHA-TRIFLUOROTOLUENE
3-CHLOROBENZOTRIFLUORIDE
3-CHLOROTRIFLUOROMETHYLBENZENE
3-CHLOROTRIFLUOROTOLUENE
3-TRIFLUOROMETHYLCHLOROBENZENE
M-CHLORO-A,A,A-TRIFLUOROTOLUENE
M-CHLOROBENZOTRIFLUORIDE
M-CHLORO(TRIFLUOROMETHYL)BENZENE
1-(trifluoromethyl)-3-chlorobenzene
1-Chlor-3-trifluormethyl-benzol
1-chloro-3-(trifluoromethyl)-benzen
3-Chlorbenzotrifluorid
3-Chlor-α,α,α-trifluortoluol
benzene,1-chloro-3-(trifluoromethyl)-
Benzotrifluoride,3-chloro
chlorobenzotrifluorides
m-Chloro-(a,a,a-)benzotrifluoride
m-Chloro-alpha,alpha,alpha-trifluorotoluene
m-chlorobenzotriflouride
[EINECS(EC#)]

202-642-9
[Molecular Formula]

C7H4ClF3
[MDL Number]

MFCD00000594
[Molecular Weight]

180.55
[MOL File]

98-15-7.mol
Chemical PropertiesBack Directory
[Appearance]

CLEAR COLOURLESS LIQUID
[Melting point ]

-56 °C (lit.)
[Boiling point ]

137-138 °C (lit.)
[density ]

1.336 g/mL at 25 °C
[refractive index ]

n20/D 1.446(lit.)
[Fp ]

97 °F
[form ]

clear liquid
[color ]

Colorless to Almost colorless
[Specific Gravity]

1.336
[Water Solubility ]

<0.1 g/100 mL at 22 ºC
[BRN ]

510215
[Henry's Law Constant]

2.9×10-4 mol/(m3Pa) at 25℃, Zhang et al. (2010)
[Exposure limits]

ACGIH: TWA 2.5 mg/m3
NIOSH: IDLH 250 mg/m3
[InChI]

InChI=1S/C7H4ClF3/c8-6-3-1-2-5(4-6)7(9,10)11/h1-4H
[InChIKey]

YTCGOUNVIAWCMG-UHFFFAOYSA-N
[SMILES]

C1(Cl)=CC=CC(C(F)(F)F)=C1
[Uses]

Intermediate in manufacturing of dyes and pharmaceuticals, dielectrics, insecticides.
[CAS DataBase Reference]

98-15-7(CAS DataBase Reference)
[NIST Chemistry Reference]

Benzene, 1-chloro-3-(trifluoromethyl)-(98-15-7)
[EPA Substance Registry System]

98-15-7(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Flame (GHS02)Exclamation Mark (GHS07)
GHS02,GHS07
[Signal word ]

Warning
[Hazard statements ]

H226-H315-H319-H335
[Precautionary statements ]

P210-P302+P352-P305+P351+P338
[Hazard Codes ]

Xi,F
[Risk Statements ]

R10:Flammable.
R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S16:Keep away from sources of ignition-No smoking .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S24/25:Avoid contact with skin and eyes .
[RIDADR ]

UN 2234 3/PG 3
[WGK Germany ]

1
[RTECS ]

XS9142000
[Hazard Note ]

Flammable/Irritant
[TSCA ]

T
[REACH Registrations]

Inactive
[HazardClass ]

3
[PackingGroup ]

III
[HS Code ]

29039990
[Storage Class]

3 - Flammable liquids
[Hazard Classifications]

Aquatic Chronic 3
Flam. Liq. 3
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Toluene-->Chlorine-->Ferric chloride-->Benzotrifluoride
[Preparation Products]

2-Amino-5-chlorobenzotrifluoride-->3-TRIFLUOROMETHYLPHENYLBORONIC ACID, PINACOL ESTER-->2-Chloro-4-trifluoromethylbenzoic acid-->3,4-Dichlorobenzotrifluoride-->N-phenyl-3-(trifluoromethyl)aniline-->N-(3-Trifluoromethylphenyl)piperazine-->Benzenamine, 3-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]--->4-METHOXY-3'-TRIFLUOROMETHYLBIPHENYL
Hazard InformationBack Directory
[General Description]

A 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.
[Reactivity Profile]

Simple aromatic halogenated organic compounds are very unreactive; halogenated aliphatic compounds are moderately or very reactive. For both subgroups, reactivity generally decreases with increased degree of substitution of halogen for hydrogen 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.
[Air & Water Reactions]

Highly flammable. On contact with water M-CHLOROBENZOTRIFLUORIDE(98-15-7) can evolve hydrogen fluoride, a highly toxic and corrosive gas. [AAR, 1999]. Insoluble in water and denser than water.
[Hazard]

Moderate fire risk.
[Health Hazard]

May cause toxic effects if inhaled or absorbed through skin. Inhalation or contact with material may irritate or burn skin and eyes. Fire will produce irritating, corrosive and/or toxic gases. Vapors may cause dizziness or suffocation. Runoff from fire control or dilution water may cause pollution.
[Fire Hazard]

HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames. Vapors may form explosive mixtures with air. Vapors may travel to source of ignition and flash back. Most vapors are heavier than air. They will spread along ground and collect in low or confined areas (sewers, basements, tanks). Vapor explosion hazard indoors, outdoors or in sewers. Runoff to sewer may create fire or explosion hazard. Containers may explode when heated. Many liquids are lighter than water.
[Chemical Properties]

CLEAR COLOURLESS LIQUID
[Purification Methods]

Purify it as for o-chlorobenzotrifluoride above. 20 1.4432. [Beilstein 5 III 692, 5 IV 814.]
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

3-Chlorobenzotrifluoride(98-15-7).msds
Spectrum DetailBack Directory
[Spectrum Detail]

3-Chlorobenzotrifluoride(98-15-7)MS
3-Chlorobenzotrifluoride(98-15-7)1HNMR
3-Chlorobenzotrifluoride(98-15-7)13CNMR
3-Chlorobenzotrifluoride(98-15-7)IR1
3-Chlorobenzotrifluoride(98-15-7)Raman
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

3-Chlorobenzotrifluoride, 98%(98-15-7)
[Sigma Aldrich]

98-15-7(sigmaaldrich)
[TCI AMERICA]

3-Chlorobenzotrifluoride,>90.0%(GC)(98-15-7)
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