ChemicalBook CAS DataBase List 98-15-7

98-15-7

Name	3-Chlorobenzotrifluoride
CAS	98-15-7
EINECS(EC#)	202-642-9
Molecular Formula	C7H4ClF3
MDL Number	MFCD00000594
Molecular Weight	180.55
MOL File	98-15-7.mol

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

Chemical Properties

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. less more
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 Data

Symbol(GHS)	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 . less more
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 . less more
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 Products

Hazard Information

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)

Spectrum Detail

Well-known Reagent Company Product Information

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