1-chloro-7-methoxy-4-nitro-10H-acridin-9-one

HCID 438231

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 21814-48-2
Standard SMILES: COc1ccc2[nH]c3c([N+](=O)[O-])ccc(Cl)c3c(=O)c2c1
InChIKey: WUQQKUISNKRKFK-UHFFFAOYSA-N
Molecular formula: C14H9ClN2O4
Average molar mass: 304.68 g/mol
Monoisotopic mass: 304.0250845

Names & identifiers

Preferred name: 1-chloro-7-methoxy-4-nitro-10H-acridin-9-one
IUPAC: 1-chloro-7-methoxy-4-nitro-10H-acridin-9-one
English name: 1-Chloro-7-methoxy-4-nitro-9,10-dihydroacridin-9-one
Molecular formula: C14H9ClN2O4
Molecular weight: 304.69

Names & synonyms

21814-48-21-chloro-7-methoxy-4-nitro-9,10-dihydroacridin-9-one1-chloro-7-methoxy-4-nitro-10H-acridin-9-one1-Chloro-7-methoxy-4-nitro-9(10H)-acridinoneNSC6271691-Chloro-7-methoxy-4-nitro-9(10H)acridoneSCHEMBL3376659CHEMBL1998510WUQQKUISNKRKFK-UHFFFAOYSA-NAKOS024319456HS-8440NSC-627169

Show more names

9(10H)-Acridinone, 1-chloro-7-methoxy-4-nitro-

NCI60_0086131-Chloro-7-methoxy-4-nitroacridin-9(10H)-oneAB00081748-011-Chloro-7-methoxy-4-nitro-9(10H )-acridinoneSR-01000205963SR-01000205963-11-Chloro-4-(hydroxy(oxido)amino)-7-methoxy-9(10H)-acridinone

Database identifiers

CAS: 21814-48-2
PubChem CID: 438231
ChEMBL: CHEMBL1998510
EC Number: 148-684-0

Properties

Computed structural properties

XLogP: 3.4
Topological polar surface area: 84.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 1
Heavy atoms: 21
Formal charge: 0
Complexity: 441

Physicochemical properties

HS Code: 2933998090 · 2933998090

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H301 (100%): Toxic if swallowed [Danger 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]

P261, P264, P264+P265, P270, P271, P280, P301+P316, 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)

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