2-Nitrophenethylalkohol

2-Nitrophenethyl alcohol

HCID 27054CAS 15121-84-3

Grundinformationen

Standard-SMILES
O=[N+]([O-])c1ccccc1CCO
InChIKey
SLRIOXRBAPBGEI-UHFFFAOYSA-N
Summenformel
C8H9NO3
Durchschnittliche Molmasse
167,16 g/mol
Monoisotopische Masse
167,05824315

Überblick

O-nitrophenethyl alcohol appears as needles dark brown liquid. (NTP, 1992)

Namen und Bezeichner

Bevorzugter Name
2-Nitrophenethyl alcohol
IUPAC
2-(2-nitrophenyl)ethanol
Lokaler Name
2-Nitrophenethylalkohol
Englischer Name
2-Nitrophenethyl alcohol
Summenformel
C8H9NO3
Molmasse
167.16

Namen und Synonyme

2-(2-Nitrophenyl)ethanol2-Nitrophenethyl alcohol15121-84-3Benzeneethanol, 2-nitro-2-NitrobenzeneethanolO-NITROPHENETHYL ALCOHOL2-(o-Nitrophenyl)ethanol2-(o-Nitrophenyl)ethyl alcoholPhenethyl alcohol, o-nitro-NitrophenylethanolBenzeneethanol, ar-nitro-CCRIS 6078
Weitere Namen anzeigen
2-NitrophenethyL2-(2-Nitrophenyl)ethan-1-olNcgc00090875-01o-Nitrophenylethanol2-nitro-benzeneethano2-nitrophenethyl alchol2-nitro-2-phenylethanolo-nitro-phenethylalcoho
DTXSID2025763J2TPT86IRJEINECS 239-178-1BRN 2092464AI3-362711-(2-hydroxyethyl)-2-nitrobenzeneEINECS 273-447-4DTXCID905763

Datenbank-Bezeichner

CAS
15121-84-3、68966-80-3
PubChem CID
27054
DTXSID
DTXSID2025763
ChEMBL
CHEMBL2137523
UNII
J2TPT86IRJ
EC Number
239-178-1、273-447-4
Nikkaji
J275E

Eigenschaften

Berechnete Struktureigenschaften

XLogP
1,5
Polarare Oberfläche (TPSA)
66,1 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
3
Frei drehbare Bindungen
2
Schwere Atome
12

Experimentelle und physikochemische Eigenschaften

Density1.19 (NTP, 1992) - Denser than water; will sink
Solubilityless than 1 mg/mL at 73 °F (NTP, 1992)
Flash Pointgreater than 230 °F (NTP, 1992)
Boiling Point513 °F at 760 mmHg (NTP, 1992)
Melting Point36 °F (NTP, 1992)
Vapor Pressure1 mmHg at 81 °F ; 1.5 mmHg at 84 °F; 4.5 mmHg at 124 °F (NTP, 1992)

Physikochemische Eigenschaften

Schmelzpunkt
2 °C · 2 °C(lit.)
Siedepunkt
267 °C · 267 °C(lit.)
Dichte
1.19 g/mL · 1.19 g/mL at 25 °C(lit.)
Brechungsindex
20 · n20/D 1.5637(lit.)
Flammpunkt
230 °F · >230 °F
storage temp.
Sealed in dry,Room Temperature

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+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.

Gefahrenhinweise

Fire HazardsThis chemical is probably combustible. (NTP, 1992)
Reactive GroupAlcohols and Polyols
Reactivity Profile · 1 Eintrag

A nitrated alcohol. Flammable and/or toxic gases are generated by the combination of alcohols with alkali metals, nitrides, and strong reducing agents. They react with oxoacids and carboxylic acids to form esters plus water. Oxidizing agents convert them to aldehydes or ketones. Alcohols exhibit both weak acid and weak base behavior. They may initiate the polymerization of isocyanates and epoxides.

Air and Water ReactionsInsoluble in water.
Hazard Classes and CategoriesAcute Tox. 4 (100%)

Sicherheit und Schutzausrüstung

Fire FightingFires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
First Aid · 1 Eintrag

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.

Nonfire Spill Response · 1 Eintrag

SMALL SPILLS AND LEAKAGE: If you spill this chemical, FIRST REMOVE ALL SOURCES OF IGNITION. Then, use absorbent paper to pick up all liquid spill material. Your contaminated clothing and absorbent paper should be sealed in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with 60-70% ethanol followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.

Personal Protective Equipment (PPE) · 1 Eintrag

RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)

Sicherheitsdaten

wgk
3
tsca
TSCA listed
hs_code
29062990
RTECS-Nr.
SG8601000
Toxizität
mic-sat 3333 mLg/plate EMMUEG 19(Suppl 21),2,1992
hazard_code
Xi

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing Information · 2 Einträge

Benzeneethanol, 2-nitro-: INACTIVE

Benzeneethanol, ar-nitro-: INACTIVE

Anwendungen

Verwenden2-Nitrophenethyl alcohol was used in the synthesis of indoles.

Anbieter50 Anbieter

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