Nicotinoyl chloride hydrochloride - CAS 20260-53-1

Catalog:	BB015739
Product Name:	Nicotinoyl chloride hydrochloride
CAS:	20260-53-1
Synonyms:	3-Pyridinecarbonyl chloride, hydrochloride (1:1); 3-Pyridinecarbonyl chloride, monohydrochloride; Nicotinoyl chloride, monohydrochloride; Nicotinic acid chloride hydrochloride

Technical Data

Safety and Hazards

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Literatures

Computed Properties

Related CAS:	10400-19-8 (free base)
IUPAC Name:	pyridine-3-carbonyl chloride;hydrochloride
Molecular Weight:	178.02
Molecular Formula:	C6H4ClNO.HCl
Canonical SMILES:	C1=CC(=CN=C1)C(=O)Cl.Cl
InChI:	InChI=1S/C6H4ClNO.ClH/c7-6(9)5-2-1-3-8-4-5;/h1-4H;1H
InChI Key:	MSYBLBLAMDYKKZ-UHFFFAOYSA-N
Melting Point:	164-165°C
Purity:	≥95%
Appearance:	White to yellow to orange crystalline solid
MDL:	MFCD00012820
LogP:	2.26260

Publication Number	Title	Priority Date
CN-113087713-A	Benzodiazepine derivatives, and preparation method and use thereof	20210329
CN-112500445-A	Preparation method of beta-nicotinamide ribose	20201204
CN-111646934-A	Synthesis method of Nikemore	20200615
CN-111559977-A	Micromolecular compound and application thereof in preparation of anti-tumor metastasis medicines	20200604
CN-111559977-B	Micromolecular compound and application thereof in preparation of anti-tumor metastasis medicines	20200604

PMID	Publication Date	Title	Journal
12092148	20010101	Original method for nicorandil synthesis	Revista medico-chirurgicala a Societatii de Medici si Naturalisti din Iasi

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Related Functional Groups

Pyridines

[2122800-15-9]
3-(Phenyl-4-D)-N,N-dimethyl-3-(2-pyridyl)-1-propanamine
[1198098-45-1]
3-Allyl-5-methyl-1H-pyrrolo[2,3-b]pyridine
[7356-60-7]
3-Amidinopyridine Hydrochloride
[76006-14-9]
3-Chloro-1H-pyrazolo[3,4-c]pyridine
[1087659-19-5]
3-Methoxy-5-(phenylcarbamoyl)isonicotinic acid
[1122-43-6]
3-Hydroxy-2,6-dimethylpyridine

GHS Hazard Statement:	H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501
Signal Word:	Danger

Complexity:	116
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	176.9748192
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	176.9748192
Rotatable Bond Count:	1
Topological Polar Surface Area:	30 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0