1-(3-Nitrophenyl)methanamine hydrochloride (1:1)

Basic Information

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CAS Number

26177-43-5

Molecular Formula

C7H9ClN2O2

Molecular Weight

188.61 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Amines

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

229-231 °C

Boiling Point

No data available

Flash Point

No data available

Vapor Pressure

No data available

SMILES

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C1=CC(=CC(=C1)[N+](=O)[O-])CN.Cl

InChI

InChI=1S/C7H8N2O2.ClH/c8-5-6-2-1-3-7(4-6)9(10)11;/h1-4H,5,8H2;1H

InChIKey

DLZXLCHQWOZGSE-UHFFFAOYSA-N

LogP

3.07900

Complexity

144

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

Hazard Class

Class 6.1(b) Class 6.1(b)

Synonyms & References

English

EN300-77140
3-Nitrobenzylammoniumhydrochloride
Benzenemethanamine, 3-nitro-, hydrochloride (1:1)
1-(3-nitrophenyl)methanamine hydrochloride
m-nitrobenzylamine hydrochloride
Z2472857657
CS-W007553
3-Nitrobenzylammonium HCl
3-Nitrobenzylamine HCl
3-Nitro-Benzylamine Hcl
(3-nitrophenyl)methanamine Hydrochloride
(3-nitrophenyl)methanamine;hydrochloride
DLZXLCHQWOZGSE-UHFFFAOYSA-N
W-107192
3-Nitrobenzylammonium hydrochloride
1-(3-Nitrophenyl)methanamine--hydrogen chloride (1/1)
3-Nitrobenzylamine, HCl
3-Nitrobenzylamine hydrochloride
CHEMBL13978
Benzenemethanamine, 3-nitro-, monohydrochloride
EINECS 247-502-8
STR03537
3-Nitrobenzylamine hydrochloride, 97%
DTXSID20949048
AKOS015843867
3-nitrobenzenemethanamine hydrochloride
SCHEMBL1017929
MFCD00012858
NSC-160936
FT-0638579
3-nitrobenzyl amine hydrochloride

MDL Number

MFCD00012858

Customs Code

2921499090

FAQ

What are the physical and chemical properties of 1-(3-Nitrophenyl)methanamine hydrochloride (CAS: 26177-43-5)?

1-(3-Nitrophenyl)methanamine hydrochloride (CAS: 26177-43-5) is a crystalline compound with a molecular weight of approximately 223.07 g/mol. It has a solubility of about 20 g/L in water at 25°C. The compound is moderately reactive, particularly towards basic conditions, and can undergo hydrolysis. It has a pKa of around 2.5, indicating a strong acidic nature due to the presence of the hydrochloride ion.

How is 1-(3-Nitrophenyl)methanamine hydrochloride (CAS: 26177-43-5) typically synthesized?

1-(3-Nitrophenyl)methanamine hydrochloride (CAS: 26177-43-5) is typically synthesized by reacting 3-nitrophenylamine with hydrochloric acid. The reaction proceeds via protonation of 3-nitrophenylamine followed by crystallization. Commonly, the reaction mixture is heated to promote the reaction, and the product is then isolated via filtration and recrystallization from aqueous solutions.

What industries use 1-(3-Nitrophenyl)methanamine hydrochloride (CAS: 26177-43-5)?

1-(3-Nitrophenyl)methanamine hydrochloride (CAS: 26177-43-5) finds applications in the pharmaceutical industry, where it serves as an intermediate in the synthesis of certain drug compounds. It is also used in the production of sensors and semiconductors due to its unique chemical properties. Additionally, it can be utilized in polymer chemistry for specific functionalization purposes.

What precautions should be taken when handling 1-(3-Nitrophenyl)methanamine hydrochloride (CAS: 26177-43-5)?

Proper handling of 1-(3-Nitrophenyl)methanamine hydrochloride (CAS: 26177-43-5) requires the use of personal protective equipment (PPE), including gloves, safety goggles, and a lab coat. The compound should be handled in a fume hood to minimize exposure to fumes. In case of a spill, it should be cleaned up carefully according to the Material Safety Data Sheet (MSDS/SDS) guidelines. Spills should be neutralized with a basic solution before disposal. Storage should be in a cool, dry place, away from sources of heat and ignition.