Related Searches: 3,4-Dichlorobenzotrifluoride, 3,4-dimethoxybenzaldehyde, 3,4-Dihydroxybenzaldehyde, 3,4-Difluoronitrobenzene, 3,4-Diaminopyridine, View all

3,4-Dichlorobenzotrifluoride(CAS No. 328-84-7)

3,4-Dichlorobenzotrifluoride C7H3Cl2F3 (cas 328-84-7) Molecular Structure

328-84-7 Structure

Identification and Related Records

【Name】
3,4-Dichlorobenzotrifluoride
【Iupac name】
1,2-dichloro-4-(trifluoromethyl)benzene
【CAS Registry number】
328-84-7
【Synonyms】
3,4-DCBTE
3,4-Dichloro-alpha,alpha,alpha-trifluorotoluene
1,2-Dichloro-4-(trifluoromethyl)benzene
3,4-dichloro-α,α,α-trifluorotoluene
【EINECS(EC#)】
206-337-1
【Molecular Formula】
C7H3Cl2F3 (Products with the same molecular formula)
【Molecular Weight】
215
【Inchi】
InChI=1/C7H3Cl2F3/c8-5-2-1-4(3-6(5)9)7(10,11)12/h1-3H
【InChIKey】
XILPLWOGHPSJBK-UHFFFAOYSA-N
【Canonical SMILES】
C1=CC(=C(C=C1C(F)(F)F)Cl)Cl
【MOL File】
328-84-7.mol

Chemical and Physical Properties

【Appearance】
colorless to pale yellow liquid
【Density】
1.478
【Melting Point】
-13℃
【Boiling Point】
173-174℃
【Refractive Index】
1.474-1.476
【Flash Point】
65℃
【Solubilities】
2.5 mg/100 ml
【Color/Form】
Clear, colorless liquid
【Stability】
No data.
【HS Code】
29036990
【Storage temp】
Keep away from heat, sparks, and flame. Keep away from sources of ignition. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
【Spectral properties】
Index of refraction (for sodium D line @ 20 deg C) = 1.4750
【Computed Properties】
Molecular Weight:214.99993 [g/mol]
Molecular Formula:C7H3Cl2F3
XLogP3:4.4
H-Bond Donor:0
H-Bond Acceptor:3
Rotatable Bond Count:0
Exact Mass:213.95639
MonoIsotopic Mass:213.95639
Topological Polar Surface Area:0
Heavy Atom Count:12
Formal Charge:0
Complexity:157
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Ring Count:1
Effective Rotor Count:1
Conformer Sampling RMSD:0.4
CID Conformer Count:1

Safety and Handling

【Hazard Codes】
C:Corrosive
【Risk Statements】
R34
【Safety Statements 】
S26;S36/37/39;S45
【HazardClass】
8
【Hazard Note】
Irritant
【Safety】

Hazard Codes:? Xi,? C
Hazard Note:Irritant
HazardClass:8
The Risk Statements information of? 3,4-Dichlorobenzotrifluoride:
34:? Causes burns?
36/37/38:? Irritating to eyes, respiratory system and skin?
The Safety Statements information of? 3,4-Dichlorobenzotrifluoride:
26:? In case of contact with eyes, rinse immediately with plenty of water and seek medical advice?
45:? In case of accident or if you feel unwell, seek medical advice immediately (show label where possible)??
36/37/39:? Wear suitable protective clothing, gloves and eye/face protection?
RIDADR: 1760
WGK Germany: 2
RTECS: CZ5527510

【PackingGroup 】
III
【Skin, Eye, and Respiratory Irritations】
Liquid in contact with the eyes or skin will be slightly irritating.
【Transport】
OTH
【Reactivities and Incompatibilities】
Will react with strong oxidizing agents and strong alkalis.
【Other Preventative Measures】
Potential exposures are minimized by the use of closed process equipment.
SRP: The scientific literature for the use of contact lenses in industry is conflicting. The benefit or detrimental effects of wearing contact lenses depend not only upon the substance, but also on factors including the form of the substance, characteristics and duration of the exposure, the uses of other eye protection equipment, and the hygiene of the lenses. However, there may be individual substances whose irritating or corrosive properties are such that the wearing of contact lenses would be harmful to the eye. In those specific cases, contact lenses should not be worn. In any event, the usual eye protection equipment should be worn even when contact lenses are in place.
【Protective Equipment and Clothing】
Liquid in contact with the eyes or skin will be slightly irritating.
【Specification】

Chemical Stability: Not available
Conditions to Avoid: Incompatible materials.
Incompatibilities with Other Materials Strong oxidizing agents, strong reducing agents, strong bases.
Hazardous Decomposition Products Hydrogen chloride, carbon monoxide, carbon dioxide, hydrogen fluoride gas.
Hazardous Polymerization Has not been reported.
?

【Disposal Methods】
SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.

Use and Manufacturing

【Use and Manufacturing】
Methods of Manufacturing

3,4-Dichlorobenzotrifluoride is produced by reacting 3,4-dichlorobenzotrichloride with anhydrous hydrogen fluoride.
3,4-Dichlorobenzotrifluoride is produced as a byproduct of 4-chlorobenzotrifluoride production
3,4-Dichlorotoluene + hydrogen fluoride (side-chain chlorination/halogen exchange).
By chlorination of 4-chlorobenzotrifluoride.
U.S. Imports

(1981) 3,482,106 lb
U.S. Production

(1977) production/importation was between 200,000 and 2 million lbs.
【Usage】
Intermediate for insecticides and herbicides.

Biomedical Effects and Toxicity

【Biomedical Effects and Toxicity】
193 mg/cu m of dichlorobenzotrifluoride isomers was detected in human breath. /Dichlorobenzotrifluoride/

Supplier Location

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