3,4-Dihydroxybenzonitrile

Basic Information

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CAS Number

17345-61-8

Molecular Formula

C7H5NO2

Molecular Weight

135.12 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Nitriles

Basic Physical Properties

Melting Point

155.0 to 159.0 deg-C

Boiling Point

334.8℃ at 760 mmHg

SMILES

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C1=CC(=C(C=C1C#N)O)O

InChI

InChI=1S/C7H5NO2/c8-4-5-1-2-6(9)7(10)3-5/h1-3,9-10H

InChIKey

NUWHYWYSMAPBHK-UHFFFAOYSA-N

LogP

0.96948

Complexity

160

Safety Information

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Hazard Statement

H301 Toxic if swallowed
Acute toxicity, oral

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

PS-6276
Protocatechunitrile
17345-61-8
SY001648
A21164
AKOS000304429
EN300-91442
4-Cyanopyrocatechol
4-Cyanocatechol
CS-W008780
KUC106679N
Protocatechuonitrile
F0001-0630
AC-5998
3,4-Dihydroxybenzonitrile
NS00025691
D3352
3,4-Dihydroxy benzonitrile
SCHEMBL217250
3,4-dihydroxy-benzonitrile
W-107861
DTXSID50169616
3,4 Dihydroxy benzonitrile
Benzonitrile, 3,4-dihydroxy-
FT-0657913
KSC-11-207-1
EINECS 241-367-9
3,4-Dihydroxybenzonitrile, 97%
MFCD00016436
4-CYANOCATECHOL
4-CYANOPYROCATECHOL

MDL Number

MFCD00016436

Customs Code

2926909090

FAQ

What is 3,4-Dihydroxybenzonitrile (CAS: 17345-61-8)?

3,4-Dihydroxybenzonitrile (CAS: 17345-61-8) is an aromatic organic compound with the molecular formula C7H6O2N. It contains a benzene ring substituted with hydroxyl groups at the 3 and 4 positions and a nitrile group at the 1 position. This compound is typically a yellowish solid with moderate solubility in water and organic solvents. It is known for its reactivity and potential applications in chemical synthesis.

What are the main uses of 3,4-Dihydroxybenzonitrile (CAS: 17345-61-8)?

3,4-Dihydroxybenzonitrile (CAS: 17345-61-8) is primarily used as a precursor in pharmaceutical and industrial applications, including the synthesis of dyes, pesticides, and fine chemicals. It also serves as a research reagent for developing new compounds in organic chemistry. Due to its structural versatility, it is valued in applications requiring functional group modifications, such as in drug design and material science.

Is 3,4-Dihydroxybenzonitrile (CAS: 17345-61-8) safe?

3,4-Dihydroxybenzonitrile (CAS: 17345-61-8) requires careful handling due to its potential toxicity. It may cause skin and eye irritation, and inhalation could pose health risks. Safety standards recommend using appropriate protective equipment, such as gloves and goggles, and working in well-ventilated areas. Always follow guidelines from regulatory bodies like OSHA for safe exposure and disposal.

How should 3,4-Dihydroxybenzonitrile (CAS: 17345-61-8) be stored?

3,4-Dihydroxybenzonitrile (CAS: 17345-61-8) should be stored in a cool, dry place away from light. Maintain storage conditions at 2-8°C to ensure stability. Use airtight, sealed containers made of glass or inert material to prevent contamination. Avoid exposure to moisture and incompatible substances to maintain its chemical integrity.