1,6-Naphthyridine

HCID 67488CAS 253-72-5

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Basic information

Standard SMILES: c1cnc2ccncc2c1
InChIKey: VSOSXKMEQPYESP-UHFFFAOYSA-N
Molecular formula: C8H6N2
Average molar mass: 130.15 g/mol
Monoisotopic mass: 130.05309819

Overview

1,6-naphthyridine is a naphthyridine.

Names & identifiers

Preferred name: 1,6-Naphthyridine
IUPAC: 1,6-naphthyridine
English name: 1,6-Naphthyridine
Molecular formula: C8H6N2
Molecular weight: 130.15

Names & synonyms

1,6-Naphthyridine253-72-51,6-Diazanaphthalene1,6-PyridopyridineS1T14P7OW7CHEBI:36627DTXSID8059762RefChem:417711DTXCID7037264640-546-2[1,6]NaphthyridineMFCD00059750

Show more names

Naphthyridine1,6-PHTHYRIDINE6-Naphthyridine1,6-naphthhydrine1,6-Naphthylridine1,6-NAPHTHYRIDINE 96+%

Pyrido[4,3-b]pyridineUNII-S1T14P7OW71,6Naphthyridine[1,6]-naphthyridinepyridino[4,3-b]pyridineSCHEMBL16357SCHEMBL16358SCHEMBL139749

Database identifiers

CAS: 253-72-5
PubChem CID: 67488
DTXSID: DTXSID8059762
ChEBI: CHEBI:36627
UNII: S1T14P7OW7
EC Number: 640-546-2
Nikkaji: J100.390I

Properties

Computed structural properties

XLogP: 1.1
Topological polar surface area: 25.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 10
Formal charge: 0
Complexity: 114

Physicochemical properties

Melting point: 231 · 231-233°C
Boiling point: 267.3 · 267.3±13.0 °C(Predicted)
Density: 1.183 · 1.183±0.06 g/cm3(Predicted)
Flash point: 35 °C · 35 °C
storage temp.: Sealed in dry,Room Temperature
form: powder to crystal
pka: 3.7 · 3.70±0.10(Predicted)
color: White to Light yellow
CAS DataBase Reference: 253 · 253-72-5(CAS DataBase Reference)
FDA UNII: 1 T14P7OW7 · S1T14P7OW7
EPA Substance Registry System: 1 · 1,6-Naphthyridine (253-72-5)
Symbol(GHS): 5 · GHS05,GHS07
Signal word: Danger
Hazard statements: 302 · H302-H318
Precautionary statements: 280 · P280-P305+P351+P338
Hazard Codes: Xi
Risk Statements: 41 · 41
Safety Statements: 26 · 26-39
TSCA: TSCA listed
HazardClass: IRRITANT
HS Code: 29339900 · 29339900

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

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 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (50%)

Safety data

tsca: TSCA listed
hs_code: 29339900
risk_code: 41
Signal word: Danger
Symbol(GHS): GHS05,GHS07
hazard_code: Xi
safety_code: 26-39
hazard_class: IRRITANT
Hazard statements: H302-H318
Precautionary statements: P280-P305+P351+P338

Chemistry & industry

Uses & manufacturing

General Manufacturing Information1,6-Naphthyridine: INACTIVE

Applications

Uses1,5-Diazonaphthalene is a pharmaceutical intermediate that can be prepared from 4-aminopyridine as a starting material and can be used to prepare CXCR4 inhibitors.