1-(3-Bromophenyl)thiourea

Basic Information

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CAS Number

21327-14-0

Molecular Formula

C7H7BrN2S

Molecular Weight

231.12 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

145.0 to 149.0 deg-C

Boiling Point

314.7 ℃ at 760 mmHg

Density

1.728

Flash Point

144.1℃

Refractive Index

1.748

SMILES

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C1=CC(=CC(=C1)Br)NC(=S)N

InChI

InChI=1S/C7H7BrN2S/c8-5-2-1-3-6(4-5)10-7(9)11/h1-4H,(H3,9,10,11)

InChIKey

XBRVSIPVHYWULW-UHFFFAOYSA-N

LogP

2.1046

Topological Polar Surface Area

38.05 Å²

Hydrogen Bond Donor/Acceptor

3 / 2

Complexity

151

Safety Information

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GHS Hazard Pictograms

H301

Hazard Statement

H301 Toxic if swallowed
Acute toxicity, oral

Hazard Class

Class 6.1 Class 6.1

Synonyms & References

English

AKOS001141969
CS-0037768
FT-0638112
(3-bromophenyl)thiourea;1-(3-Bromophenyl)thiourea
EN300-15008
XBRVSIPVHYWULW-UHFFFAOYSA-N
F2167-3917
CS-11356
amino[(3-bromophenyl)amino]methane-1-thione
WAA32714
Z111871258
DTXSID00370836
3-bromophenylthiourea
m-bromophenyl-thiourea
1-(3-bromophenyl)-2-thiourea, AldrichCPR
SY017108
N-(3-bromophenyl)thiourea
A815275
Thiourea, (3-bromophenyl)-
B4998
1-(3-Bromophenyl)-2-thiourea
MFCD00060440
AB01323492-02
1-(3-bromophenyl)thiourea
21327-14-0
(3-bromophenyl)thiourea
SCHEMBL1621739
NCGC00333735-01
W-206618
1-(3-Bromophenyl)thiourea
(3-Bromophenyl)thiourea

MDL Number

MFCD00060440

Customs Code

2930909090

FAQ

What regulatory guidelines apply to 1-(3-Bromophenyl)thiourea (CAS: 21327-14-0)?

1-(3-Bromophenyl)thiourea (CAS: 21327-14-0) is subject to several regulatory guidelines. It falls under the Chemicals of Very High Concern (SVHC) list under REACH, and companies must comply with the REACH registration requirements if they manufacture or import it in quantities above 1 ton per year. Additionally, it is classified as a hazardous substance under the Globally Harmonized System of Classification and Labeling of Chemicals (GHS) due to its corrosive properties, necessitating appropriate safety data sheets (SDS) and hazard communication. The FDA and EPA may also have specific regulations regarding its use in pharmaceutical and industrial applications.

Are there alternatives to 1-(3-Bromophenyl)thiourea (CAS: 21327-14-0) in synthesis?

While 1-(3-Bromophenyl)thiourea (CAS: 21327-14-0) is a useful reagent, alternatives include 1-(4-bromophenyl)thiourea and 1-(2-bromophenyl)thiourea, which are structurally similar and can be used in similar reactions. For synthetic purposes, researchers may also explore other thiourea derivatives or use other reagents like isothiocyanates as substitutes, depending on the specific chemical transformations required.

What is the market or research trend for 1-(3-Bromophenyl)thiourea (CAS: 21327-14-0)?

The market for 1-(3-Bromophenyl)thiourea (CAS: 21327-14-0) is growing due to its utility in the synthesis of various organic compounds, particularly in pharmaceutical and agrochemical industries. Research is increasingly focused on exploring its potential in new drug discovery and as a versatile building block for complex molecule synthesis. Market trends indicate a steady demand for this compound, driven by its stability and reactivity in diverse chemical transformations.

How should waste containing 1-(3-Bromophenyl)thiourea (CAS: 21327-14-0) be handled?

Waste containing 1-(3-Bromophenyl)thiourea (CAS: 21327-14-0) should be handled with care to prevent environmental contamination. Collection of waste should be done in appropriate containers, and the waste should be neutralized or treated to reduce its hazardous nature before disposal. Incineration is a common method for disposal, and it should be conducted in a controlled environment to comply with environmental regulations. Alternatively, professional waste disposal services can ensure safe and compliant disposal. Always refer to the latest safety data sheets (SDS) and local regulations for specific disposal procedures.