1,2-bis(2-Nitrophenoxy)ethane

HCID 394580

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Basic information

CAS: 51661-19-9
Standard SMILES: O=[N+]([O-])c1ccccc1OCCOc1ccccc1[N+](=O)[O-]
InChIKey: DEHTVRKGDUCXRF-UHFFFAOYSA-N
Molecular formula: C14H12N2O6
Average molar mass: 304.25 g/mol
Monoisotopic mass: 304.06953611

Overview

See also: Bis(o-nitrophenoxy)ethane (annotation moved to).

Names & identifiers

Preferred name: 1,2-bis(2-Nitrophenoxy)ethane
IUPAC: 1-nitro-2-[2-(2-nitrophenoxy)ethoxy]benzene
English name: 1,2-Bis(2-Nitrophenoxy)ethane
Molecular formula: C14H12N2O6
Molecular weight: 304.25

Names & synonyms

1,2-Bis(2-Nitrophenoxy)ethaneRefChem:411347610-713-451661-19-91,2-Bis(o-nitrophenoxy)ethane1-nitro-2-[2-(2-nitrophenoxy)ethoxy]benzeneEthylene Glycol Bis(2-nitrophenyl) EtherMFCD00024226NSC6981491,1'-[ethane-1,2-diylbis(oxy)]bis(2-nitrobenzene)1,2-di(o-nitrophenoxy)ethaneDTXSID30963836

Show more names

Bis(o-nitrophenoxy)ethaneEthyleneGlycolBis(2-nitrophenyl)Ether>Ethylene Glycol Bis(2-nitrophenyl) Ether1,1'-[1,2-Ethanediylbis(oxy)]bis[2-nitrobenzene

NCI60_035106SMR000457375T72557Benzene, 1,1'-[1,2-ethanediylbis(oxy)]bis[2-nitro-4742-89-6Bis(2-nitrophenoxy)ethane1,1'-[1,2-Ethanediylbis(oxy)]bis[2-nitrobenzene; 1,2-Bis(o-nitrophenoxy)ethane; Ethylene Glycol Bis(2-nitrophenyl) Ether2-BIS(2-NITROPHENOXY)ETHANE

Database identifiers

CAS: 51661-19-9
PubChem CID: 394580
DTXSID: DTXSID30963836

Properties

Computed structural properties

XLogP: 3.2
Topological polar surface area: 110 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 6
Rotatable bonds: 5
Heavy atoms: 22
Formal charge: 0
Complexity: 345

Experimental & physicochemical properties

Solubility<0.3 [ug/mL] (The mean of the results at pH 7.4)

Physicochemical properties

Melting point: 167 · 167-170°C
Boiling point: 501.7 · 501.7±35.0 °C(Predicted)
Density: 1.37 · 1.370±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
solubility: Ethanol, Tetrahydrofuran
form: Solid
color: Tan
CAS DataBase Reference: 51661 · 51661-19-9(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Risk Statements

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, 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.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

ridadr: 2810
hs_code: 2909.30.6000
risk_code: 23/24/25-36/37/38
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 26-36/37/39
packing_group: III
Hazard statements: H315-H319-H335
REACH Registrations: Active
Precautionary statements: P261-P280a-P304+P340-P305+P351+P338-P405-P501a

Chemistry & industry

Suppliers50 total

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

江苏艾康生物医药研发有限公司025-58851090 19370895928 · [email protected]

上海腾准生物科技有限公司19821570922 · [email protected]

上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]

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Compound notes

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