4-(Trifluoromethyl)benzenecarbothioamide

Basic Information

View in Editor

CAS Number

72505-21-6

Molecular Formula

C8H6F3NS

Molecular Weight

205.2 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Amines

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

135.0 to 139.0 deg-C

Boiling Point

246℃ at 760 mmHg

Density

1.3720

SMILES

View in Editor

C1=CC(=CC=C1C(=S)N)C(F)(F)F

InChI

InChI=1S/C8H6F3NS/c9-8(10,11)6-3-1-5(2-4-6)7(12)13/h1-4H,(H2,12,13)

InChIKey

IPRFNMJROWWFBH-UHFFFAOYSA-N

LogP

2.3396

Topological Polar Surface Area

26.02 Å²

Hydrogen Bond Donor/Acceptor

2 / 1

Complexity

194

Safety Information

View Safety Information

GHS Hazard Pictograms

H331

H302

H315

H319

H335

Hazard Statement

H331 Toxic if inhaled
Acute toxicity, inhalation

H302 Harmful if swallowed
Acute toxicity, oral

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 Class 6.1

Sensitiveness

Stench

Synonyms & References

English

4-(Trifluoromethyl)benzene-1-carbothiamide
AMY30306
C8H6F3NS
SB77423
HMS559K15
4-trifluoromethylbenzthioamide
4-trifluoromethyl-thiobenzamide
4-(trifluoromethyl)benzothioamide
Benzenecarbothioamide, 4-(trifluoromethyl)-
4-Trifuoromethyl thiobenzamide
SCHEMBL261282
4-trifluoromethyl-benzene-thioamide
NCGC00327958-01
AC-24975
4-(Trifluoromethyl)thiobenzamide, AldrichCPR
4-(Trifluoromethyl)benzenecarbothioamide #
T2771
DTXSID10993338
72505-21-6
CS-W008000
MFCD00051806
J-513944
(4-trifluoromethylphenyl)thiocarboxamide
FT-0617327
EN300-51529
FS-1613
4-(trifluoromethyl) thiobenzamide
SY037957
para-trifluoromethyl thiobenzamide
SCHEMBL8259382
Maybridge1_006395

MDL Number

MFCD00051806

Customs Code

2930909090

FAQ

What is 4-(Trifluoromethyl)benzenecarbothioamide (CAS: 72505-21-6)?

4-(Trifluoromethyl)benzenecarbothioamide is an organic compound with the CAS number 72505-21-6. It is a white or off-white solid with a molecular formula of C8H5F3NO2S. This compound is known for its high reactivity and is used in various applications including pharmaceuticals and industrial chemistry.

What are the main uses of 4-(Trifluoromethyl)benzenecarbothioamide (CAS: 72505-21-6)?

4-(Trifluoromethyl)benzenecarbothioamide is primarily used in pharmaceuticals as an intermediate in the synthesis of other compounds. It also finds applications in industrial chemistry for its reactive properties and is sometimes used in research for developing new organic compounds.

Is 4-(Trifluoromethyl)benzenecarbothioamide (CAS: 72505-21-6) safe?

4-(Trifluoromethyl)benzenecarbothioamide (CAS: 72505-21-6) can be safely handled with appropriate precautions. It is important to wear protective gloves and goggles when handling this compound. Ensure adequate ventilation and avoid inhalation of dust or fumes. Proper disposal methods should be followed to prevent environmental contamination.

How should 4-(Trifluoromethyl)benzenecarbothioamide (CAS: 72505-21-6) be stored?

4-(Trifluoromethyl)benzenecarbothioamide should be stored in a cool, dry place away from direct sunlight and heat sources. It should be kept in a tightly sealed container to prevent moisture absorption. Store it at room temperature (15-25°C) and avoid exposure to temperatures above 30°C to maintain its stability and purity.