CAS 625-48-9 2-Nitroethanol (HCID 12252)

Overview

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

Names & identifiers

Preferred name: 2-Nitroethanol
IUPAC: 2-nitroethanol
English name: 2-Nitroethanol
Molecular formula: C2H5NO3
Molecular weight: 91.07

Names & synonyms

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

Show more names

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

Database identifiers

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

Properties

Computed structural properties

XLogP: -0.4
Topological polar surface area: 66.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 6
Formal charge: 0
Complexity: 47.2

Experimental & physicochemical properties

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)

Physicochemical properties

Melting point: -80 °C · -80 °C (lit.)
Boiling point: 194 °C/765 · 194 °C/765 mmHg (lit.)
Density: 1.27 g/mL · 1.27 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.445(lit.)
Flash point: 230 °F · >230 °F
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
solubility: Chloroform, DMSO, Methanol (Sparingly)
form: Liquid
pka: 8.42 · 8.42±0.29(Predicted)
color: 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 DataBase Reference: 625 · 625-48-9(CAS DataBase Reference)
EWG's Food Scores: 1 · 1
NIST Chemistry Reference: 2 · Ethanol, 2-nitro-(625-48-9)
EPA Substance Registry System: 2 · 2-Nitroethanol (625-48-9)
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-P264-P271-P280-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36
WGK Germany: 3 · 3
RTECS: 9370000 · KL9370000
F: 3 · 3
HS Code: 29055910 · 29055910
Storage Class: 10 · 10 - Combustible liquids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

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

Hazard information

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.

Safety & protection

Fire FightingFires involving this chemical should be controlled using a carbon dioxide, dry chemical or Halon extinguisher. (NTP, 1992)

First Aid · 1 item

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 item

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 item

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)

Safety data

F: 3
PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
rtecs: KL9370000
hs_code: 29055910
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-36
Storage Class: 10 - Combustible liquids
target organs: Respiratory system
Hazard statements: H315-H319-H335
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P264-P271-P280-P302+P352-P305+P351+P338

Chemistry & industry

Applications · 2 items

Uses2-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.

General DescriptionMobile dark brown-red liquid with a pungent odor.

Preparation methods · 1 item

Preparation2-Nitroethanol is an organic alcohol that can be prepared by reacting nitromethane and formaldehyde under alkaline conditions. Other preparation methods include the reaction of 2-iodoethanol with silver nitrite and the reaction of ethylene oxide with sodium nitrite.