3-Bromo-2-hydroxybenzonitrile

Basic Information

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CAS Number

13073-28-4

Molecular Formula

C7H4BrNO

Molecular Weight

187.04 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Nitriles

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

120.0 to 124.0 deg-C

Boiling Point

248.2 °C at 760 mmHg

Density

1.79

Flash Point

103.9 °C

SMILES

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C1=CC(=C(C(=C1)Br)O)C#N

InChI

InChI=1S/C7H4BrNO/c8-6-3-1-2-5(4-9)7(6)10/h1-3,10H

InChIKey

BUWXNBPLRLEXOZ-UHFFFAOYSA-N

LogP

2.46312

Topological Polar Surface Area

20.23 Å²

Hydrogen Bond Donor/Acceptor

1 / 1

Complexity

162

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

Hazard Class

Class 6.1 Class 6.1

Synonyms & References

English

CL8994
DTXSID50499460
AKOS015833863
FT-0721996
3-BROMO-2-HYDROXYBENZNITRILE
EN300-7153398
Benzonitrile,3-bromo-2-hydroxy-
MFCD11042854
AMY33699
PS-5365
SY040916
PB14860
Benzonitrile, 3-bromo-2-hydroxy-
3-BROMO-2-HYDROXYBENZONITRILE
SCHEMBL1343723
J-005867
B5273
3-Bromo-2-hydroxybenzonitrile, 97%
BUWXNBPLRLEXOZ-UHFFFAOYSA-N
CS-0053980
13073-28-4
2-Bromo-6-cyanophenol
3-Bromo-2-hydroxybenzonitrile
3-bromo-2-hydroxy-benzonitrile
Benzonitrile,3-bromo-2-hydroxy
3-bromo-2-hydroxybenznitrile
3-Bromo-2-hydroxybenzonitrile 97%
3-bromo-2-hydroxybenzonitrile

MDL Number

MFCD11042854

Customs Code

2926909090

FAQ

What regulatory guidelines apply to 3-Bromo-2-hydroxybenzonitrile (CAS: 13073-28-4)?

3-Bromo-2-hydroxybenzonitrile (CAS: 13073-28-4) falls under the GHS classification as an eye irritant and may require hazard communication according to the Globally Harmonized System of Classification and Labeling of Chemicals. It is also subject to REACH regulations in the European Union, requiring registration for specific uses. The Food and Drug Administration (FDA) and Environmental Protection Agency (EPA) may have additional guidelines for handling, storage, and disposal in the context of pharmaceutical and industrial applications.

Are there alternatives to 3-Bromo-2-hydroxybenzonitrile (CAS: 13073-28-4) in synthesis?

There are several alternatives to 3-Bromo-2-hydroxybenzonitrile (CAS: 13073-28-4) in synthesis, including 2-hydroxybenzonitrile and bromobenzonitrile. These alternatives may offer similar reactivity but with different chemical properties, and thus could be used as substitutes depending on the specific synthetic pathway and desired product characteristics.

What is the market or research trend for 3-Bromo-2-hydroxybenzonitrile (CAS: 13073-28-4)?

The market for 3-Bromo-2-hydroxybenzonitrile (CAS: 13073-28-4) is primarily driven by its use in pharmaceutical and agrochemical industries. Research trends are focusing on its potential as an intermediate in the synthesis of active pharmaceutical ingredients and crop protection agents. The trend suggests increasing demand, particularly in the development of new drugs and pesticides with improved efficacy and reduced environmental impact.

How should waste containing 3-Bromo-2-hydroxybenzonitrile (CAS: 13073-28-4) be handled?

Waste containing 3-Bromo-2-hydroxybenzonitrile (CAS: 13073-28-4) should be collected in appropriate containers and stored in a well-ventilated area. For disposal, it is recommended to contact a licensed hazardous waste management company for professional incineration or chemical neutralization to minimize environmental impact. Proper personal protective equipment (PPE) should be used to ensure the safety of handlers.