4-(Aminomethyl)benzonitrile hydrochloride (1:1)

Basic Information

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CAS Number

15996-76-6

Molecular Formula

C8H9ClN2

Molecular Weight

121.18 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Nitriles

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

274-279 °C

Boiling Point

275.4℃ at 760 mmHg

Water Solubility

almost transparency

Flash Point

120.4℃

SMILES

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C1=CC(=CC=C1CN)C#N.Cl

InChI

InChI=1S/C8H8N2.ClH/c9-5-7-1-2-8(6-10)4-3-7;/h1-4H,5,9H2;1H

InChIKey

QREZLLYPLRPULF-UHFFFAOYSA-N

LogP

1.45372

Topological Polar Surface Area

26.02 Å²

Hydrogen Bond Donor/Acceptor

2 / 1

Complexity

137

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Synonyms & References

English

AC-4566
4-(aminomethyl)-benzonitrile hydrochloride
4-Cyanobenzylamine hydrochloride
p-cyanobenzylamine hydrochloride
4-aminomethylbenzonitrile hydrochloride
EN300-66289
4-Cyanobenzylamine HCL
4-aminomethylbenzonitrile HCl
alpha-Amino-p-tolunitrile Hydrochloride
Benzonitrile, 4-(aminomethyl)-, hydrochloride (1:1)
4-Aminomethyl-benzonitrile hydrochloride
4-Aminomethyl-benzonitrile, hydrochloride
4-(AMINOMETHYL)-BENZONITRILE HCL
4-Cyanobenzyl amine HCl
CK2122
4-cyano-benzyl amine hydrochloride
SCHEMBL154002
AM20060522
4-(Aminomethyl)benzonitrile hydrochloride
HY-W007809
FT-0649364
p-(aminomethyl)benzonitrile hydrochloride
DTXSID90433101
Benzonitrile, 4-(aminomethyl)-, monohydrochloride
p-cyanobenzylamine hydrogen chloride
4-(Aminomethyl)benzonitrile HCl
15996-76-6
SY007868
MFCD01861472
QREZLLYPLRPULF-UHFFFAOYSA-N
4-(Aminomethyl)benzonitrile, HCl

MDL Number

MFCD01861472

Customs Code

2926909090

FAQ

What regulatory guidelines apply to 4-(Aminomethyl)benzonitrile hydrochloride (CAS: 15996-76-6)?

4-(Aminomethyl)benzonitrile hydrochloride (CAS: 15996-76-6) falls under various regulatory guidelines. It requires compliance with the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), REACH regulations in the European Union, and FDA/EPA guidelines for its transportation and use in the United States. Companies using this compound must ensure it meets the specific handling, storage, and disposal requirements outlined in these regulations to avoid legal and safety issues.

Are there alternatives to 4-(Aminomethyl)benzonitrile hydrochloride (CAS: 15996-76-6) in synthesis?

For synthesis purposes, alternatives to 4-(Aminomethyl)benzonitrile hydrochloride (CAS: 15996-76-6) include other aminobenzonitriles and their derivatives. Common substitutes include 3-(Aminomethyl)benzonitrile and 2-(Aminomethyl)benzonitrile. These alternatives offer similar functionalities and can be used as effective replacements depending on the specific reaction conditions and desired product properties.

What is the market or research trend for 4-(Aminomethyl)benzonitrile hydrochloride (CAS: 15996-76-6)?

The market for 4-(Aminomethyl)benzonitrile hydrochloride (CAS: 15996-76-6) is growing due to its applications in pharmaceuticals, agrochemicals, and materials science. Research trends indicate increasing interest in its use as a precursor in the development of new materials and drugs. The compound's unique properties make it a valuable reagent in various industries, driving demand and innovation.

How should waste containing 4-(Aminomethyl)benzonitrile hydrochloride (CAS: 15996-76-6) be handled?

Waste containing 4-(Aminomethyl)benzonitrile hydrochloride (CAS: 15996-76-6) should be collected in appropriate containers and stored separately from other waste streams. The waste should be neutralized with a suitable base to reduce its toxicity before disposal. For large quantities or hazardous waste, it is recommended to use professional waste disposal services that specialize in handling chemicals. Proper environmental protection measures, such as preventing spills and ensuring safe transportation, are also crucial.