1,8-Diazanaphthalene - CAS 254-60-4

Catalog:	BB044321
Product Name:	1,8-Diazanaphthalene
CAS:	254-60-4
Synonyms:	naphthyridine; 1,8-Diazanapthalene; Pyrido[2,3-b]pyridine

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	1,8-naphthyridine
Description:	1,8-Diazanaphthalene (CAS# 254-60-4 ) is a useful research chemical.
Molecular Weight:	130.15
Molecular Formula:	C8H6N2
Canonical SMILES:	C1=CC2=C(N=C1)N=CC=C2
InChI:	InChI=1S/C8H6N2/c1-3-7-4-2-6-10-8(7)9-5-1/h1-6H
InChI Key:	FLBAYUMRQUHISI-UHFFFAOYSA-N
Boiling Point:	248.9±13.0 °C (Predicted)
Melting Point:	99.8-99.9 °C
Purity:	≥ 97 %
Density:	1.183±0.06 g/cm³ (Predicted)
Appearance:	Solid

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Related Functional Groups

Naphthyridines

[127094-58-0]
Ethyl 6-chloro-4-hydroxy[1,5]naphthyridine-3-carboxylate
[64436-97-1]
Ethyl 7-Bromo-4-hydroxy-1,5-naphthyridine-3-carboxylate
[959617-73-3]
Tert-butyl 1,5-naphthyridin-3-ylcarbamate
[959617-49-3]
1,5-Naphthyridine-3-carbaldehyde
[1142927-37-4]
1,5-Naphthyridine-3-carbonitrile
[7675-32-3]
2-Methyl-1,5-naphthyridine

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GHS Hazard Statement:	H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	102
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	130.0530982
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	130.0530982
Rotatable Bond Count:	0
Topological Polar Surface Area:	25.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5