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Merck
CN

W347000

Quinoline

≥97%

Synonym(s):

1-Benzazine, 2,3-Benzopyridine

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About This Item

Empirical Formula (Hill Notation):
C9H7N
CAS Number:
91-22-5
Molecular Weight:
129.16
FEMA Number:
3470
Council of Europe no.:
11364
UNSPSC Code:
12164502
PubChem Substance ID:
24901720
Flavis number:
14.063
EC Number:
202-051-6
NACRES:
NA.21
MDL number:
MFCD00006736
Beilstein/REAXYS Number:
107477

Key Documents

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SMILES string

c1ccc2ncccc2c1

InChI

1S/C9H7N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-7H

InChI key

SMWDFEZZVXVKRB-UHFFFAOYSA-N

biological source

synthetic

grade

Halal

vapor density

4.5 (vs air)

vapor pressure

0.07 mmHg ( 20 °C)

assay

≥97%

autoignition temp.

896 °F

Gene Information

human ... CYP2D6(1565)

bp

113-114 °C/11 mmHg (lit.), 237 °C (lit.)

mp

−17-−13 °C (lit.)

density

1.093 g/mL at 25 °C (lit.)

application(s)

flavors and fragrances

documentation

see Safety & Documentation for available documents

food allergen

no known allergens

organoleptic

medicinal; musty; tobacco

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signalword

Danger

Hazard Classifications

Acute Tox. 3 Oral - Acute Tox. 4 Dermal - Aquatic Chronic 2 - Carc. 1B - Eye Irrit. 2 - Muta. 2 - Skin Irrit. 2

Storage Class

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

wgk

WGK 2

flash_point_f

213.8 °F - closed cup

flash_point_c

101 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

Regulatory Information

危险化学品
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Certificates of Analysis (COA)

Lot/Batch Number
MKCF9364
MKCF7332
MKCC8567
MKBX4612V
MKBV7834V

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Margarita A Gonzalez et al.
Inorganic chemistry, 51(21), 11930-11940 (2012-10-24)
The unusual role of CO as a signaling molecule in several physiological pathways has spurred research in the area of synthesizing new CO-releasing molecules (CORMs) as exogenous CO donors. Auxiliary control on CO delivery can be achieved if CO can
Yoshiaki Yasutake et al.
FEBS letters, 588(1), 105-110 (2013-11-26)
The cytochrome P450 RauA from Rhodococcus erythropolis JCM 6824 catalyzes the hydroxylation of a nitrogen atom in the quinolone ring of aurachin, thereby conferring strong antibiotic activity on the aurachin alkaloid. Here, we report the crystal structure of RauA in
Marli C Lombard et al.
European journal of pharmaceutical sciences : official journal of the European Federation for Pharmaceutical Sciences, 47(5), 834-841 (2012-10-17)
Malaria, one of the three most important life-threatening infectious diseases, is recommended to be treated with ACT (artemisinin combination therapy) against which Plasmodium falciparum already displayed resistance. Two artemisinin-4-amino-quinoline hybrid-dimers (1 and 2), previously synthesized, possessed low nanomolar in vitro
Rainer E Martin et al.
ChemMedChem, 8(4), 569-576 (2012-12-12)
Potency with potential: 2-Phenoxy-nicotinamides were identified as potent agonists at the GPBAR1 receptor, a target in the treatment of obesity, type 2 diabetes and metabolic syndrome. Extensive structure-activity relationship studies supported by homology modeling and docking resulted in the identification
Fang-Fang Wang et al.
Organic & biomolecular chemistry, 10(43), 8605-8608 (2012-10-09)
A practical Brønsted acid promoted benzylic C-H functionalization of 2-methylazaarenes and nucleophilic addition to aldehydes was developed in good to excellent yields. A six-membered hydrogen-bonding transition state is proposed to be crucial for the reaction. Ready availability of the two
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