2-Nitroethanol

Basic Information

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CAS Number

625-48-9

Molecular Formula

C2H5NO3

Molecular Weight

91.07 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Water Treatment Chemicals Coagulants and Flocculants Inorganic Coagulants

Basic Physical Properties

Melting Point

−80 °C

Boiling Point

197°C

Density

1.27 g/mL at 25 °C

Refractive Index

n20/D 1.445(lit.)

SMILES

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C(CO)[N+](=O)[O-]

InChI

InChI=1S/C2H5NO3/c4-2-1-3(5)6/h4H,1-2H2

InChIKey

KIPMDPDAFINLIV-UHFFFAOYSA-N

LogP

-0.7445999999999999

Topological Polar Surface Area

63.37 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

47.2

Safety Information

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GHS Hazard Pictograms

H315

H319

H335

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

625-48-9
beta-Nitroethanol
SMR001224491
NCGC00258176-01
CAS-625-48-9
MLS002152877
BRN 1633753
NCGC00091621-02
.beta.-Nitroethanol
FT-0613195
MFCD00007405
AB00877
NSC-16151
2-Nitroethanol, 97%
Tox21_200622
2-Nitroethanol, purum, >=95.0% (GC)
AC1643
Ethanol, 2-nitro-
beta-Nitroalcohol
NSC 16151
SY008757
CHEMBL324774
EINECS 210-895-1
EN300-23939
AI3-28038
2-nitroethan-1-ol
C2H5NO3
NCGC00091621-01
A8644
AKOS009085428
NS00035065

MDL Number

MFCD00007405

Customs Code

29055910

FAQ

What regulatory guidelines apply to 2-Nitroethanol (CAS: 625-48-9)?

2-Nitroethanol (CAS: 625-48-9) is classified as a hazardous chemical under the Globally Harmonized System of Classification and Labelling of Chemicals (GHS) as a flammable liquid and a skin and eye irritant. It is also regulated by REACH in the European Union, requiring suppliers to notify the European Chemicals Agency (ECHA) and provide Material Safety Data Sheets (MSDS). FDA and EPA may also have specific requirements for its use and disposal in the United States, particularly in relation to its classification as a hazardous substance.

Are there alternatives to 2-Nitroethanol (CAS: 625-48-9) in synthesis?

There are several alternatives to 2-Nitroethanol in synthesis, including 2-Aminoethanol, 2-Hydroxyethanethione, and glycerol nitrate. These alternatives may offer different advantages depending on the specific reaction conditions and the desired product. It is important to evaluate the substituent effects and the overall reaction mechanism of these compounds when considering alternatives.

What is the market or research trend for 2-Nitroethanol (CAS: 625-48-9)?

The market for 2-Nitroethanol (CAS: 625-48-9) is driven by its use in the production of explosives and chemical intermediates. Research trends include its use in the synthesis of new compounds and its potential as a reagent in organic synthesis. The trend towards more sustainable and environmentally friendly chemicals is also influencing the demand for alternatives to 2-nitroethanol, as it is classified as a hazardous substance.

How should waste containing 2-Nitroethanol (CAS: 625-48-9) be handled?

Waste containing 2-Nitroethanol (CAS: 625-48-9) should be collected and disposed of in accordance with local and national regulations. This typically involves neutralizing the waste to reduce its hazardous properties, followed by incineration or professional waste disposal. Environmental precautions include ensuring that the waste is contained to prevent spills and that proper protective equipment is used during handling. It is crucial to follow safety guidelines and consult local regulations for specific disposal methods.