7-Chloro-1,8-naphthyridin-2-amine

HCID 85199CAS 15944-33-9

Substructure search Find similar structures

Basic information

Standard SMILES: Nc1ccc2ccc(Cl)nc2n1
InChIKey: HRXBYPUUCBEZAS-UHFFFAOYSA-N
Molecular formula: C8H6ClN3
Average molar mass: 179.6 g/mol
Monoisotopic mass: 179.0250249

Names & identifiers

Preferred name: 7-Chloro-1,8-naphthyridin-2-amine
IUPAC: 7-chloro-1,8-naphthyridin-2-amine
English name: 7-chloro-1,8-naphthyridin-2-amine
Molecular formula: C8H6ClN3
Molecular weight: 179.61

Names & synonyms

7-Chloro-1,8-naphthyridin-2-amine15944-33-92-Amino-7-chloro-1,8-naphthyridineEINECS 240-078-5DTXSID10166661RefChem:546011DTXCID9089152240-078-5MFCD118785741,8-Naphthyridin-2-amine, 7-chloro-SCHEMBL64123432-amino-7chloro-1,8-naphthyridine

Show more names

2-amino-7-chloro-1, 8-naphthidine1,8-Naphthyridin-2-amine,7-chloro-2-chloro-7-amino-1,8-naphthyridine

QAA944332-amino-7-chloro-1,8-napthyridine2-chloro-7-amino-1,8-napthyridineAKOS006343105DA-35743PS-11579SY128196CS-0215919

Database identifiers

CAS: 15944-33-9
PubChem CID: 85199
DTXSID: DTXSID10166661
EC Number: 240-078-5
Nikkaji: J219.907F

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 51.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 12
Formal charge: 0
Complexity: 164

Physicochemical properties

Melting point: 179 · 179-182 °C(Solv: acetone (67-64-1))
Boiling point: 351.2 · 351.2±37.0 °C(Predicted)
Density: 1.445 · 1.445±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C, protect from light
form: powder
pka: 4.21 · 4.21±0.30(Predicted)
color: Yellow
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
HS Code: 2933998090 · 2933998090

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Acute Tox. 4 (50%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；Acute Tox. 4 (50%)；STOT SE 3 (100%)

Safety data

hs_code: 2933998090
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H315-H319-H335
Precautionary statements: P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501