1,3-Diphenylguanidine hydrobromide

Basic Information

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CAS Number

93982-96-8

Molecular Formula

C13H14BrN3

Molecular Weight

292.18 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Amines

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

157-163°C

Boiling Point

364.3°C at 760 mmHg

Flash Point

174.1 °C

SMILES

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C1=CC=C(C=C1)NC(=NC2=CC=CC=C2)N.Br

InChI

InChI=1S/C13H13N3.BrH/c14-13(15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12;/h1-10H,(H3,14,15,16);1H

InChIKey

DSESGJJGBBAHNW-UHFFFAOYSA-N

LogP

3.7232700000000016

Topological Polar Surface Area

47.910000000000004 Å²

Hydrogen Bond Donor/Acceptor

3 / 3

Complexity

225

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

1,3-Diphenylguanidine hydrobromide
1,2-Diphenylguanidine hydrobromide
N,N'-Diphenylguanidine monohydrobromide
1,1-diphenylguanidine,hydrobromide
DIPHENYLGUANIDINE HYDROBROMIDE
N,N'-Diphenylguanidine Hydrobromide
N,N-Diphenylguanidine MonohydrobroMide
Guanidine, N,N'-diphenyl-, monohydrobromide
N,N'-Diphenyl-Guanidine Hydrobromide
SY033456
AK113941
AX8142331
ST24026764
N,N'-Diphenylguanidine--hydrogen bromide (1/1)
Guanidine, N,N′-diphenyl-, monohydrobromide (9CI)
N,N′-Diphenylguanidine hydrobromide
NS00091787
Diphenylguanidine hydrobromide
CS-0156103
DTXSID00916733
DSESGJJGBBAHNW-UHFFFAOYSA-N
1,2-diphenylguanidine;hydrobromide
W-100221
SCHEMBL473887
LS-14201
EINECS 301-283-6
AC8406
AKOS016009713
CHEMBL556117
93982-96-8
MFCD04038163

MDL Number

MFCD04038163

Customs Code

2925290090

FAQ

What are the physical and chemical properties of 1,3-Diphenylguanidine hydrobromide (CAS: 93982-96-8)?

1,3-Diphenylguanidine hydrobromide (CAS: 93982-96-8) is a crystalline compound with a molecular weight of approximately 280.26 g/mol. It has a low solubility in water (0.7 g/L at 25°C) but is soluble in organic solvents like ethanol and methanol. The compound is reactive towards nucleophiles and can undergo substitution reactions. It is commonly used in the synthesis of other organic compounds due to its electrophilic functionality.

How is 1,3-Diphenylguanidine hydrobromide (CAS: 93982-96-8) typically synthesized?

1,3-Diphenylguanidine hydrobromide (CAS: 93982-96-8) is typically synthesized by the reaction of 1,3-diphenylguanidine with hydrogen bromide. The synthesis involves the generation of the corresponding salt followed by crystallization. Commonly, the reaction is carried out under anhydrous conditions with a yield of around 85-90%. The use of appropriate solvents and temperature control can improve the selectivity and yield of the product.

What industries use 1,3-Diphenylguanidine hydrobromide (CAS: 93982-96-8)?

1,3-Diphenylguanidine hydrobromide (CAS: 93982-96-8) is used in various industries, including pharmaceuticals, where it serves as a precursor in the synthesis of medicinal compounds. It also finds applications in the polymer industry as a stabilizer, in the semiconductor industry in etching processes, and in the development of sensors due to its electrochemical properties.

What precautions should be taken when handling 1,3-Diphenylguanidine hydrobromide (CAS: 93982-96-8)?

When handling 1,3-Diphenylguanidine hydrobromide (CAS: 93982-96-8), it is important to use personal protective equipment (PPE) such as gloves, goggles, and a lab coat to prevent skin and eye contact. Work must be done in a well-ventilated area or a fume hood to avoid inhalation. In case of a spill, it should be handled carefully using an appropriate absorbent material, and the area should be thoroughly cleaned. Always refer to the Safety Data Sheet (SDS) for specific handling guidelines and emergency procedures.