Welcome to our website!

Product Catalog

Rapid Product Index

Recommended Products

Friend Links

  • 4-Chlorobenzotrichloride
Name:4-Chlorobenzotrichloride
CAS No:5216-25-1

PRODUCT DESCRIPTION

【Name】
4-Chlorobenzotrichloride
【Iupac name】
1-chloro-4-(trichloromethyl)benzene
【CAS Registry number】
5216-25-1
【Synonyms】
1-Chloro-4-(trichloromethyl)benzene
p,alpha,alpha,alpha-Tetrachlorotoluene
p-trichloromethylchlorobenzene
alpha, alpha, alpha, para-tetrachlorotoluene
PCTC
Tetrachlorotoluene
【EINECS(EC#)】
226-009-1
【Molecular Formula】
C7H4Cl4 (Products with the same molecular formula)
【Molecular Weight】
229.92
【Inchi】
InChI=1/C7H4Cl4/c8-6-3-1-5(2-4-6)7(9,10)11/h1-4H
【InChIKey】
LVZPKYYPPLUECL-UHFFFAOYSA-N
【Canonical SMILES】
C1=CC(=CC=C1C(Cl)(Cl)Cl)Cl
【MOL File】
5216-25-1.mol

Chemical and Physical Properties

【Appearance】
clear liquid
【Density】
1.495
【Melting Point】
5.8℃
【Boiling Point】
245℃
【Refractive Index】
1.571-1.573
【Flash Point】
> 110 C
【Water】
decomposes
【Solubilities】
Decomposes AUTOIGNITION
【Stability】
Stable. Combustible. Incompatible with strong oxidizing agents.
【Storage temp】
Keep container closed when not in use. Corrosives area. Store protected from moisture.
【Computed Properties】
Molecular Weight:229.91866 [g/mol]
Molecular Formula:C7H4Cl4
XLogP3:4.6
H-Bond Donor:0
H-Bond Acceptor:0
Rotatable Bond Count:0
Exact Mass:229.903761
MonoIsotopic Mass:227.906711
Topological Polar Surface Area:0
Heavy Atom Count:11
Formal Charge:0
Complexity:121
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】
T:Toxic;
【Risk Statements】
R21/22;R37/38;R45;R48/23;R62
【Safety Statements 】
S45;S53
【HazardClass】
8
【PackingGroup 】
II
【Sensitive】
Moisture Sensitive
【Transport】
UN 1760

RELATED PRODUCTS