8-Chloro-(1,7)naphthyridine

HCID 12342712CAS 13058-77-0

Substructure search Find similar structures

Basic information

Standard SMILES: Clc1nccc2cccnc12
InChIKey: FMSVBSQYYFTDSR-UHFFFAOYSA-N
Molecular formula: C8H5ClN2
Average molar mass: 164.59 g/mol
Monoisotopic mass: 164.01412584

Names & identifiers

Preferred name: 8-Chloro-(1,7)naphthyridine
IUPAC: 8-chloro-1,7-naphthyridine
English name: 8-CHLORO-[1,7]NAPHTHYRIDINE
Molecular formula: C8H5ClN2
Molecular weight: 164.59

Names & synonyms

8-Chloro-[1,7]naphthyridine8-Chloro-(1,7)naphthyridineRefChem:547873836-531-78-Chloro-1,7-naphthyridine13058-77-01,7-Naphthyridine, 8-chloro-MFCD08437452SCHEMBL3147004SCHEMBL28537734SCHEMBL293770188-chloropyridino[2,3-c]pyridine

Show more names

8-Chloro-1,7phthyridine8-chloro-1,7-naphthyridine - [C82253]

DTXSID60492245FMSVBSQYYFTDSR-UHFFFAOYSA-NSMSSF-0625499SBB081642AKOS000276547AB45031AMS_CNC_ID-1280644070AS-36485

Database identifiers

CAS: 13058-77-0
PubChem CID: 12342712
DTXSID: DTXSID60492245
EC Number: 836-531-7

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 25.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 11
Formal charge: 0
Complexity: 140

Physicochemical properties

Boiling point: 307.9 · 307.9±22.0 °C(Predicted)
Density: 1.349 · 1.349±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C, stored under nitrogen
pka: 1.54 · 1.54±0.30(Predicted)
Appearance: White to off-white Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302
Precautionary statements: 280 · P280-P305+P351+P338
HS Code: 2933998090 · 2933998090

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.