Nicotinoyl azide supplier | CasNO.4013-72-3

Name
NICOTINOYL AZIDE
EINECS
CAS No. 4013-72-3
Article Data39
CAS DataBase
Density
Solubility
Melting Point
Formula C₆H₄N₄O
Boiling Point
Molecular Weight 148.124
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Nicotinoylazide (6CI,7CI,8CI);3-Pyridylacetyl azide;Nicotinic acid azide;
PSA 79.71000
LogP 0.98486

Nicotinoyl azide Specification

The Nicotinoyl azide, with cas registry number 4013-72-3, belongs to the following product categories: pyridine-3-carbonyl azide. And its IUPAC name the same one. Besides this, it is also called Nicotinoyl azide.

Physical properties about this chemical are: (1)ACD/LogP: -0.81; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.81; (4)ACD/LogD (pH 7.4): -0.81; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 8.61; (8)ACD/KOC (pH 7.4): 8.62; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 42.32 Å².

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(/N=[N+]=[N-])c1cccnc1
(2)InChI: InChI=1/C6H4N4O/c7-10-9-6(11)5-2-1-3-8-4-5/h1-4H
(3)InChIKey: ZNSIOEUWGZNHAQ-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C6H4N4O/c7-10-9-6(11)5-2-1-3-8-4-5/h1-4H
(5)Std. InChIKey: ZNSIOEUWGZNHAQ-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	60mg/kg (60mg/kg)		Archives Internationales de Pharmacodynamie et de Therapie. Vol. 108, Pg. 473, 1956.
mouse	LDLo	parenteral	166mg/kg (166mg/kg)		"Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 7, Pg. 692, 1955.

Product Name

NICOTINOYL AZIDE

Nicotinoyl azide Specification

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