4-Chloro-6,8-dimethyl-2-phenylquinoline - CAS 101602-31-7

Catalog:	BB000565
Product Name:	4-Chloro-6,8-dimethyl-2-phenylquinoline
CAS:	101602-31-7
Synonyms:	4-chloro-6,8-dimethyl-2-phenylquinoline

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	4-chloro-6,8-dimethyl-2-phenylquinoline
Description:	4-Chloro-6,8-dimethyl-2-phenylquinoline (CAS# 101602-31-7) is a useful research chemical.
Molecular Weight:	267.75
Molecular Formula:	C17H14ClN
Canonical SMILES:	CC1=CC(=C2C(=C1)C(=CC(=N2)C3=CC=CC=C3)Cl)C
InChI:	InChI=1S/C17H14ClN/c1-11-8-12(2)17-14(9-11)15(18)10-16(19-17)13-6-4-3-5-7-13/h3-10H,1-2H3
InChI Key:	MCCJMSALUBTGDI-UHFFFAOYSA-N
Boiling Point:	409.2 °C at 760 mmHg
Purity:	95 %
Density:	1.181 g/cm³
LogP:	5.17200

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GHS Hazard Statement:	H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]; H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]; H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement:	P264, P264+P265, P270, P273, P280, P301+P316, P305+P354+P338, P317, P321, P330, P405, and P501
Signal Word:	Danger

Complexity:	300
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	267.0814771
Formal Charge:	0
Heavy Atom Count:	19
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	267.0814771
Rotatable Bond Count:	1
Topological Polar Surface Area:	12.9
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	5.2