2-(4-Nitrophenoxy)ethanol

HCID 85381CAS 16365-27-8

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Basic information

Standard SMILES: O=[N+]([O-])c1ccc(OCCO)cc1
InChIKey: YAPAEYFBLRVUMH-UHFFFAOYSA-N
Molecular formula: C8H9NO4
Average molar mass: 183.16 g/mol
Monoisotopic mass: 183.05315777

Names & identifiers

Preferred name: 2-(4-Nitrophenoxy)ethanol
IUPAC: 2-(4-nitrophenoxy)ethanol
English name: 2-(4-NITROPHENOXY)ETHANOL
Molecular formula: C8H9NO4
Molecular weight: 183.16

Names & synonyms

2-(4-Nitrophenoxy)ethanolEthanol, 2-(4-nitrophenoxy)-EINECS 240-422-4NSC 30512AI3-19441DTXSID5066037RefChem:84486DTXCID5035248240-422-4YAPAEYFBLRVUMH-UHFFFAOYSA-N16365-27-82-(p-Nitrophenoxy)ethanol

Show more names

NSC 47172AKOS B030715TIMTEC-BB SBB008154(4-NITROPHENYL)GLYCOL2-(4-nitrophenoxy)-ethano

2-(4-nitrophenoxy)ethan-1-olp-NitrophenoxyethanolEthanol, 2-(p-nitrophenoxy)-MFCD000170314-nitro-(2-Hydroxyethoxy)benzeneNSC-30512.beta.-Hydroxyethyl p-nitrophenyl etherbeta-Hydroxyethyl p-nitrophenyl ether

Database identifiers

CAS: 16365-27-8
PubChem CID: 85381
DTXSID: DTXSID5066037
ChEMBL: CHEMBL5488354
UNII: CWC6X7XX9X
EC Number: 240-422-4
Nikkaji: J31.147B

Properties

Computed structural properties

XLogP: 1.5
Topological polar surface area: 75.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 13
Formal charge: 0
Complexity: 160

Physicochemical properties

Melting point: 82 · 82-85 °C
Boiling point: 182 °C · 182°C 11mm
Density: 1 · 1,322 g/cm3
storage temp.: Store at room temperature
pka: 13.93 · 13.93±0.10(Predicted)
form: flakes
Appearance: White to off-white Solid
BRN: 2210596 · 2210596
CAS DataBase Reference: 16365 · 16365-27-8(CAS DataBase Reference)
FDA UNII: 6 X7XX9X · CWC6X7XX9X
EPA Substance Registry System: 2 · 2-(4-Nitrophenoxy)ethanol (16365-27-8)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36
WGK Germany: 3 · 3
F: 8 · 8
TSCA: TSCA listed

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

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

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, 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.