CAS 64976-62-1 8-Methyl-5-nitroquinoline (HCID 246300)

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Basic information

CAS: 64976-62-1
Standard SMILES: Cc1ccc([N+](=O)[O-])c2cccnc12
InChIKey: JJGAHJWKYOSGEU-UHFFFAOYSA-N
Molecular formula: C10H8N2O2
Average molar mass: 188.18 g/mol
Monoisotopic mass: 188.0585775

Overview

structure given in first source

Names & identifiers

Preferred name: 8-Methyl-5-nitroquinoline
IUPAC: 8-methyl-5-nitroquinoline
English name: 8-Methyl-5-nitroquinoline)
Molecular formula: C10H8N2O2
Molecular weight: 188.18

Names & synonyms

8-Methyl-5-nitroquinolineDTXSID90289100RefChem:9146148Me-5NQDTXCID4024024664976-62-15-nitro-8-methylquinoline8-METHYL-5-NITROQUINOLINE)MFCD00047607Quinoline, 8-methyl-5-nitro-NSC59163Oprea1_859160

Show more names

8-methyl-5-nitroquinoline - [AC79879]

MLS0005457998-Methyl-5-nitroquinoline #SCHEMBL2246159CHEMBL1481231HMS2375K19PCA97662NSC-59163AKOS000133723

Database identifiers

CAS: 64976-62-1
PubChem CID: 246300
DTXSID: DTXSID90289100
ChEMBL: CHEMBL1481231
EC Number: 151-072-6
Nikkaji: J1.464.371K

Properties

Computed structural properties

XLogP: 2.2
Topological polar surface area: 58.7 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 14
Formal charge: 0
Complexity: 227

Physicochemical properties

storage temp.: 2 · 2-8°C

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.