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Quinoline,4-chloro-8-(trifluoromethyl)-(CAS No. 23779-97-7)

Quinoline,4-chloro-8-(trifluoromethyl)- C10H5ClF3N (cas 23779-97-7) Molecular Structure

23779-97-7 Structure

Identification and Related Records

【Name】
Quinoline,4-chloro-8-(trifluoromethyl)-
【Iupac name】
4-chloro-8-(trifluoromethyl)quinoline
【CAS Registry number】
23779-97-7
【EINECS(EC#)】
245-880-9
【Molecular Formula】
C10H5ClF3N (Products with the same molecular formula)
【Molecular Weight】
231.60
【Inchi】
InChI=1/C10H5ClF3N/c11-8-4-5-15-9-6(8)2-1-3-7(9)10(12,13)14/h1-5H
【Canonical SMILES】
C1=CC2=C(C=CN=C2C(=C1)C(F)(F)F)Cl
【MOL File】
23779-97-7.mol

Chemical and Physical Properties

【Appearance】
white to light yellow crystal powder
【Density】
1.427g/cm3
【Melting Point】
80-82℃
【Boiling Point】
265.5°Cat760mmHg
【Vapour】
0.0947mmHg at 25°C
【Refractive Index】
1.402
【Flash Point】
114.4°C
【Computed Properties】
Molecular Weight:231.60161 [g/mol]
Molecular Formula:C10H5ClF3N
XLogP3:3.1
H-Bond Donor:0
H-Bond Acceptor:4
Rotatable Bond Count:0
Exact Mass:231.006261
MonoIsotopic Mass:231.006261
Topological Polar Surface Area:12.9
Heavy Atom Count:15
Formal Charge:0
Complexity:231
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 Acceptor Count:1
Feature 3D Ring Count:2
Effective Rotor Count:1
Conformer Sampling RMSD:0.4
CID Conformer Count:1

Safety and Handling

【Hazard Codes】
Xi: Irritant;
【Risk Statements】
R36/37/38
【Safety Statements 】
26-36
【HazardClass】
IRRITANT
【Hazard Note】
Irritant
【Safety】

Safety information of 4-Chloro-8-(trifluoromethyl)quinoline (23779-97-7):
Hazard Codes  Xi
Risk Statements 
36/37/38  Irritating to eyes, respiratory system and skin 
Safety Statements 
26  In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36  Wear suitable protective clothing
WGK Germany  3
Hazard Note  Irritant

Supplier Location

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