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W347000

Sigma-Aldrich

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
Beilstein:
107477
EC Number:
202-051-6
Council of Europe no.:
11364
MDL number:
MFCD00006736
UNSPSC Code:
12164502
PubChem Substance ID:
24901720
Flavis number:
14.063
NACRES:
NA.21

biological source

synthetic

grade

Halal

vapor density

4.5 (vs air)

vapor pressure

0.07 mmHg ( 20 °C)

Assay

≥97%

autoignition temp.

896 °F

refractive index

n20/D 1.625 (lit.)

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

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

Gene Information

human ... CYP2D6(1565)

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Signal Word

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 Code

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

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

EU REACH Annex XVII (Restriction List)

CAS No.

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Certificates of Analysis (COA)

Lot/Batch Number
MKCF9364
MKCF7332
MKCC8567
MKBX4612V
MKBV7834V

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Jole Fiorito et al.
European journal of medicinal chemistry, 60, 285-294 (2013-01-15)
Phosphodiesterase type 5 (PDE5) mediates the degradation of cGMP in a variety of tissues including brain. Recent studies have demonstrated the importance of the nitric oxide/cGMP/cAMP-responsive element-binding protein (CREB) pathway to the process of learning and memory. Thus, PDE5 inhibitors
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
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
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
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