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
Weitere Namen anzeigen
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
- Formalladung
- 0
- Komplexität
- 155
Experimentelle und physikochemische Eigenschaften
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
- pka
- 14.63 · 14.63±0.10(Predicted)
- Stabilität
- Stable. Incompatible with strong oxidizing agents.
- InChI
- 1S/C8H9NO3/c10-6-5-7-3-1-2-4-8(7)9(11)12/h1-4,10H,5-6H2
- InChIKey
- SLRIOXRBAPBGEI-UHFFFAOYSA-N
- SMILES
- OCCc1ccccc1[N+]([O-])=O
- CAS Datenbank
- 15121 · 15121-84-3(CAS DataBase Reference)
- NIST chemische Informationen
- 2 · Benzeneethanol, 2-nitro-(15121-84-3)
- EPA chemische Informationen
- 2 · 2-Nitrobenzeneethanol (15121-84-3)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
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
Reactivity Profile
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.
Sicherheit und Schutzausrüstung
First Aid
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
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)
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
- safety_code
- 24/25
- hazard_class
- IRRITANT
- Speicherklasse
- 10 - Combustible liquids
Chemie und Industrie
Verwendung und Herstellung
General Manufacturing Information
Benzeneethanol, 2-nitro-: INACTIVE
Benzeneethanol, ar-nitro-: INACTIVE
Anwendungen
Verwenden2-Nitrophenethyl alcohol was used in the synthesis of indoles.
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