2,2-Dibromo-2-nitroethanol

Basic Information

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CAS Number

69094-18-4

Molecular Formula

C2H3Br2NO3

Molecular Weight

248.86 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Water Treatment Chemicals Coagulants and Flocculants Inorganic Coagulants

Water Treatment Chemicals Disinfectants Chlorine Compounds

Basic Physical Properties

Physical State

Liquid

Boiling Point

244 °C at 760 mmHg

Density

2.3583 (rough estimate)

Flash Point

101.4 °C

Refractive Index

1.6220 (estimate)

SMILES

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

InChI

InChI=1S/C2H3Br2NO3/c3-2(4,1-6)5(7)8/h6H,1H2

InChIKey

FMNZAHDAULEOSO-UHFFFAOYSA-N

LogP

1.22220

Complexity

97.9

Safety Information

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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

2,2-dibromo-2-nitro-ethanol
2,2-Dibromo-2-nitroethanol
FT-0641221
NS00001524
UNII-WX6VDG7X4V
WX6VDG7X4V
DBNE
2,2-dibromo-2-nitroethan-1-ol
EN300-99029
2,2-dibromo-2-nitro-1-ethanol
N-60
GS-3104
AKOS015904583
EC 412-380-9
69094-18-4
2,2-dibromo-2-nitro ethanol
MFCD01752886
J-506784
DTXSID0073613
SCHEMBL421475
DIBNIROL
Ethanol, 2,2-dibromo-2-nitro-
CS-0199772
2,2-dibromo-2-nitro-ethano
2,2-Bibromo-2-Nitroethanol(Dbne)
Dibromo-2-nitroethanol
2,2-Dibromo-3-Nitrilopropion Amide
2,2-Dibrom-2-nitro-aethanol
2,2-dibromo--2-nitroethanol

MDL Number

MFCD01752886

Customs Code

2905590090

FAQ

What is 2,2-Dibromo-2-nitroethanol (CAS: 69094-18-4)?

2,2-Dibromo-2-nitroethanol (CAS: 69094-18-4) is a brominated nitro alcohol with the chemical formula C2H3Br2NO3. It is a colorless liquid with a sharp odor, known for its high reactivity due to the presence of bromine and nitro groups. This compound exhibits strong polarity and is commonly used as an intermediate in organic synthesis. Its molecular structure features two bromo substituents and a nitro group on the same carbon atom, making it a valuable compound in chemical research.

What are the main uses of 2,2-Dibromo-2-nitroethanol (CAS: 69094-18-4)?

2,2-Dibromo-2-nitroethanol (CAS: 69094-18-4) is primarily used in pharmaceutical and industrial applications. It serves as a key intermediate in the synthesis of agrochemicals, dyes, and specialty chemicals. In research settings, it is utilized for developing new compounds in organic chemistry. Its unique functional groups make it suitable for reactions involving nitro reduction, bromo substitution, and alcohol oxidation, contributing to its versatility in chemical processes.

Is 2,2-Dibromo-2-nitroethanol (CAS: 69094-18-4) safe?

2,2-Dibromo-2-nitroethanol (CAS: 69094-18-4) requires careful handling due to its potential toxicity. It may cause skin and respiratory irritation, and prolonged exposure could lead to more severe health effects. Safety standards emphasize the use of personal protective equipment (PPE) such as gloves, goggles, and lab coats. Proper ventilation and adherence to OSHA guidelines are essential to minimize risks during handling and storage.

How should 2,2-Dibromo-2-nitroethanol (CAS: 69094-18-4) be stored?

2,2-Dibromo-2-nitroethanol (CAS: 69094-18-4) should be stored in a cool, dry, and well-ventilated area, away from direct light. It requires a sealed container made of glass or high-density polyethylene (HDPE) to prevent contamination and evaporation. Storage conditions should maintain temperatures below 25°C and humidity levels under 60%. Avoid exposure to incompatible substances and ensure proper labeling for safe handling.