2-(2-Nitroethoxy)tetrahydropyran

HCID 3748656

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Basic information

CAS: 75233-61-3
Standard SMILES: O=[N+]([O-])CCOC1CCCCO1
InChIKey: KQDXRRAVDLIMGM-UHFFFAOYSA-N
Molecular formula: C7H13NO4
Average molar mass: 175.18 g/mol
Monoisotopic mass: 175.0844579

Names & identifiers

Preferred name: 2-(2-Nitroethoxy)tetrahydropyran
IUPAC: 2-(2-nitroethoxy)oxane
English name: 2-(2-NITROETHOXY)TETRAHYDROPYRAN
Molecular formula: C7H13NO4
Molecular weight: 175.18

Names & synonyms

2-(2-Nitroethoxy)tetrahydropyran75233-61-32H-Pyran, tetrahydro-2-(2-nitroethoxy)-DTXSID40395886RefChem:454296DTXCID703467452-Nitroethyl 2-tetra-hydropyranyl ether623-311-92-(2-nitroethoxy)oxane2-(2-nitroethoxy)tetrahydro-2H-pyran2-(2-Nitroethoxy)tetrahydropyran ,MFCD00010858

Show more names

LABOTEST-BB LT002332302-(2-Nitroethoxy)tetrahydropyran>2-(2-Nitroethoxy)tetrahydro-2H-pyran2-(2-NITROETHOXY)TETRAHYDROPYRAN ISO 9001：2015 REACH

Tetrahydro-2-(2-nitroethoxy)-2H-pyranSCHEMBL12204172-(2-nitroethoxy) tetrahydropyranAKOS015912830AS-879532-[(2-nitroethyl)oxy]tetrahydro-2H-pyranDB-055946N0602

Database identifiers

CAS: 75233-61-3
PubChem CID: 3748656
DTXSID: DTXSID40395886
EC Number: 623-311-9
Nikkaji: J410.677F

Properties

Computed structural properties

XLogP: 0.7
Topological polar surface area: 64.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 12
Formal charge: 0
Complexity: 145

Physicochemical properties

Boiling point: 285.2 · 285.2±35.0 °C(Predicted)
Density: 1.143 g/mL · 1.143 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.459(lit.)
Flash point: 118 °F · 118 °F
solubility: 25 mg/mL, · dichloromethane: soluble25mg/mL, clear, yellow to orange
pka: 8.21 · 8.21±0.29(Predicted)
form: clear liquid
color: Colorless to Light yellow
InChI: 1S/C7H13NO4/c9-8(10)4-6-12-7-3-1-2-5-11-7/h7H,1-6H2
InChIKey: KQDXRRAVDLIMGM-UHFFFAOYSA-N
SMILES: [O-][N+](=O)CCOC1CCCCO1
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 2 · GHS02,GHS07
Signal word: Warning
Hazard statements: 226 · H226-H315-H319-H335
Precautionary statements: 210 · P210-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: Xi
Risk Statements: 10 · 10-36/37/38
Safety Statements: 16 · 16-26-36/37/39
RIDADR: 1993 · UN 1993 3/PG 3
WGK Germany: 3 · 3
HS Code: 2932.99 · 2932.99.9090
HazardClass: 3.2 · 3.2
PackingGroup: III
Storage Class: 3 · 3 - Flammable liquids
Hazard Classifications: 2 Flam · Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information2-Nitroethyl 2-tetra-hydropyranyl ether: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesFlam. Liq. 3 (100%)