2-Methyl-8-nitroquinoline

HCID 13433

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Basic information

CAS: 881-07-2
Standard SMILES: Cc1ccc2cccc([N+](=O)[O-])c2n1
InChIKey: UHPGVDHXHDPYQP-UHFFFAOYSA-N
Molecular formula: C10H8N2O2
Average molar mass: 188.18 g/mol
Monoisotopic mass: 188.0585775

Names & identifiers

Preferred name: 2-Methyl-8-nitroquinoline
IUPAC: 2-methyl-8-nitroquinoline
English name: 2-Methyl-8-nitroquinoline
Molecular formula: C10H8N2O2
Molecular weight: 188.18

Names & synonyms

2-Methyl-8-nitroquinoline8-NitroquinaldineQUINALDINE, 8-NITRO-Quinoline, 2-methyl-8-nitro-UNII-XRV949AUQZXRV949AUQZEINECS 212-919-6NSC 163380BRN 01450778-NITRO-2-METHYLQUINOLINENSC-163380NITROQUINALDINE, 8-

Show more names

AKOS 92898Nitroquinaldine8-nitro-quinaldinNITROMETHYLQUINOLINE

UHPGVDHXHDPYQP-UHFFFAOYSA-DTXSID302368155-20-07-00387 (Beilstein Handbook Reference)RefChem:88227DTXCID60159306Quinoline, 2-methyl-8-nitro-(9CI)212-919-6InChI=1/C10H8N2O2/c1-7-5-6-8-3-2-4-9(12(13)14)10(8)11-7/h2-6H,1H3

Database identifiers

CAS: 881-07-2
PubChem CID: 13433
DTXSID: DTXSID30236815
ChEMBL: CHEMBL167800
UNII: XRV949AUQZ
EC Number: 212-919-6
Nikkaji: J3.345F

Properties

Computed structural properties

XLogP: 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

Experimental & physicochemical properties

LogP1.99

Physicochemical properties

Melting point: 138 °C · 138°C
Boiling point: 323.8 · 323.8±27.0 °C(Predicted)
Density: 1.298 · 1.298±0.06 g/cm3(Predicted)
storage temp.: Inert atmosphere,Room Temperature
Water Solubility: Practically insoluble in water
pka: 2.04 · 2.04±0.50(Predicted)
form: crystal
color: light brown
BRN: 145077 · 145077
CAS DataBase Reference: 881 · 881-07-2(CAS DataBase Reference)
EWG's Food Scores: 1 · 1
FDA UNII: 949 AUQZ · XRV949AUQZ
Symbol(GHS): 8 · GHS08
Signal word: Warning
Hazard statements: 341 · H341
Precautionary statements: 280 h · P280h
Hazard Codes: Xn
Risk Statements: 68 · 68-40-36/37/38-20/21/22
Safety Statements: 26 · 26-36/37/39-27-24/25
RTECS: 9830000 · UZ9830000
TSCA: No
HS Code: 29334900 · 29334900

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (88.4%): 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)

Aggregated GHS information provided per 43 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.