6-Fluoro-2-methylquinoline - CAS 1128-61-6

Catalog:	BB003062
Product Name:	6-Fluoro-2-methylquinoline
CAS:	1128-61-6
Synonyms:	6-fluoro-2-methylquinoline

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	6-fluoro-2-methylquinoline
Description:	Quinoline derivative as a highly potent thrombin receptor antagonist.
Molecular Weight:	161.18
Molecular Formula:	C10H8FN
Canonical SMILES:	CC1=NC2=C(C=C1)C=C(C=C2)F
InChI:	InChI=1S/C10H8FN/c1-7-2-3-8-6-9(11)4-5-10(8)12-7/h2-6H,1H3
InChI Key:	GPIARMSVZOEZCV-UHFFFAOYSA-N
Boiling Point:	99 ℃ / 3 mmHg
Purity:	> 98.0 % (GC)
Density:	1.174 g/cm 3
Appearance:	Brown powder or granules
Storage:	Inert atmosphere, Room Temperature
MDL:	MFCD00041233
LogP:	2.68230

Publication Number	Title	Priority Date
CN-113512064-A	Preparation method of aromatic phosphine oxide compound	20210430
CN-112047925-A	Preparation method of N- (aryl/heteroaryl) alkyl-diamide	20200916
CN-112047925-B	Preparation method of N- (aryl/heteroaryl) alkyl-diamide	20200916
CN-111440181-A	Dipyrazolo seven-membered oxygen heterocyclic compound containing quinoline structure and synthetic method thereof	20200528
CN-111533689-A	2, 2' -biquinoline compound and one-pot preparation method thereof	20200528

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Quinoline/Isoquinoline

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	160
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	161.064077422
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	161.064077422
Rotatable Bond Count:	0
Topological Polar Surface Area:	12.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.7