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Quinoline,8-chloro-(CAS No. 611-33-6)

Quinoline,8-chloro- C9H6ClN (cas 611-33-6) Molecular Structure

611-33-6 Structure

Identification and Related Records

【Name】
Quinoline,8-chloro-
【Iupac name】
8-chloroquinoline
【CAS Registry number】
611-33-6
【Synonyms】
NSC 56815
【EINECS(EC#)】
210-265-6
【Molecular Formula】
C9H6ClN (Products with the same molecular formula)
【Molecular Weight】
163.61
【Inchi】
InChI=1/C9H6ClN/c10-8-5-1-3-7-4-2-6-11-9(7)8/h1-6H
【Canonical SMILES】
C1=CC2=C(C(=C1)Cl)N=CC=C2
【MOL File】
611-33-6.mol

Chemical and Physical Properties

【Appearance】
clear slight yellow liquid.
【Density】
1.27 g/cm3
【Melting Point】
-20℃
【Boiling Point】
288.5℃
【Refractive Index】
1.6408 (14.3 C)
【Flash Point】
145.2 °C
【Water】
SOLUBLE
【Solubilities】
Soluble in water
【Stability】
Stable under normal temperatures and pressures.
【Storage temp】
Keep container closed when not in use. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
【Computed Properties】
Molecular Weight:163.60364 [g/mol]
Molecular Formula:C9H6ClN
XLogP3:2.4
H-Bond Donor:0
H-Bond Acceptor:1
Rotatable Bond Count:0
Exact Mass:163.018877
MonoIsotopic Mass:163.018877
Topological Polar Surface Area:12.9
Heavy Atom Count:11
Formal Charge:0
Complexity:138
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:0
Conformer Sampling RMSD:0.4
CID Conformer Count:1

Safety and Handling

【Hazard Codes】
Xi:Irritant;
【Risk Statements】
R36/37/38
【Safety Statements 】
S26;S37/39
【HazardClass】
IRRITANT

Supplier Location

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Business Type:Trading Company
Telephone:86-573-85280080

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