2-Nitroethanol (HCID 12252)

Überblick

Mobile dark brown-red liquid with a pungent odor. (NTP, 1992)

Namen und Bezeichner

Bevorzugter Name: 2-Nitroethanol
IUPAC: 2-nitroethanol
Lokaler Name: 2-Nitroethanol
Englischer Name: 2-Nitroethanol
Summenformel: C2H5NO3
Molmasse: 91.07

Namen und Synonyme

2-NITROETHANOL625-48-9Ethanol, 2-nitro-CCRIS 6076DTXSID8025751EINECS 210-895-1NSC 16151BRN 1633753AI3-28038.beta.-Nitroethyl alcoholDTXCID8057514-01-00-01388 (Beilstein Handbook Reference)

Weitere Namen anzeigen

nitroethanolB-Nitroethanol2-nitro-ethano2-Nitro-1-ethanolbeta-nitroalcohol2-Nitroethanol>

beta-Nitroethyl alcoholRefChem:887231-NITRO-2-HYDROXYETHANE210-895-1InChI=1/C2H5NO3/c4-2-1-3(5)6/h4H,1-2HKIPMDPDAFINLIV-UHFFFAOYSA-N2-nitroethan-1-olbeta-Nitroethanol

Datenbank-Bezeichner

CAS: 625-48-9
PubChem CID: 12252
DTXSID: DTXSID8025751
ChEMBL: CHEMBL324774
EC Number: 210-895-1
Nikkaji: J1.685C

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -0,4
Polarare Oberfläche (TPSA): 66,1 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 1
Schwere Atome: 6
Formalladung: 0
Komplexität: 47,2

Experimentelle und physikochemische Eigenschaften

SpringerMaterials PropertiesSchoenflies notation

LogP-0.42

Density1.27 at 59 °F (NTP, 1992) - Denser than water; will sink

Solubilityless than 1 mg/mL at 70 °F (NTP, 1992)

Flash Pointgreater than 235 °F (NTP, 1992)

Boiling Point381 °F at 765 mmHg (NTP, 1992)

Physikochemische Eigenschaften

Schmelzpunkt: -80 °C · -80 °C (lit.)
Siedepunkt: 194 °C/765 · 194 °C/765 mmHg (lit.)
Dichte: 1.27 g/mL · 1.27 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.445(lit.)
Flammpunkt: 230 °F · >230 °F
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
Löslichkeit: Chloroform, DMSO, Methanol (Sparingly)
Aggregatzustand: Liquid
pka: 8.42 · 8.42±0.29(Predicted)
Farbe: Clear yellow
BRN: 1633753 · 1633753
Henry's Law Constant: 2 · 2.0×102 mol/(m3Pa) at 25℃, Raventos-Duran et al. (2010)
InChI: InChI=1S/C2H5NO3/c4-2-1-3(5)6/h4H,1-2H2
InChIKey: KIPMDPDAFINLIV-UHFFFAOYSA-N
SMILES: C(O)C[N+]([O-])=O
CAS Datenbank: 625 · 625-48-9(CAS DataBase Reference)
NIST chemische Informationen: 2 · Ethanol, 2-nitro-(625-48-9)
EPA chemische Informationen: 2 · 2-Nitroethanol (625-48-9)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

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 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory InformationEthanol, 2-nitro-: Does not have an individual approval but may be used under an appropriate group standard

Fire HazardsThis chemical is probably combustible. (NTP, 1992)

Health HazardsSYMPTOMS: The vapor or mist of this compound is irritating to the eyes, mucous membranes and upper respiratory tract. It also causes skin irritation.

Reactive GroupAlcohols and Polyols

Reactivity Profile2-NITROETHANOL is incompatible with strong oxidizing agents, strong bases, acid chlorides and acid anhydrides. It has exploded under vacuum distillation(attributed to the presence of peroxides or alkali). (NTP, 1992)

Air and Water ReactionsHygroscopic. Insoluble in water.

Sicherheit und Schutzausrüstung

Fire FightingFires involving this chemical should be controlled using a carbon dioxide, dry chemical 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

F: 3
wgk: 3
hs_code: 29055910
RTECS-Nr.: KL9370000
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
Speicherklasse: 10 - Combustible liquids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden2-Nitroethanol is an aliphatic β-nitro alcohol used as an in vivo therapeutic corneoscleral crosslinking agents with higher order nitroalcohol. It also functions as a crosslinking reagent for scieral tissue cross-linking of the eye cornea for treating keratoconus and post-surgical keratectasia.