4-(Trifluoromethyl)phenylthiourea

Modify Date: 2025-08-27 17:29:37

4-(Trifluoromethyl)phenylthiourea Structure
4-(Trifluoromethyl)phenylthiourea structure
 Common Name 4-(Trifluoromethyl)phenylthiourea
CAS Number 1736-72-7 Molecular Weight 220.21500
Density 1.337g/cm3 Boiling Point 203.4ºC at 760mmHg
Molecular Formula C8H7F3N2S Melting Point 142-146 °C
MSDS Chinese USA Flash Point 102.1ºC
Symbol GHS07
GHS07		 Signal Word Warning

 Names

Name 1-[4-(trifluoromethyl)phenyl]-2-thiourea
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.337g/cm3
Boiling Point 203.4ºC at 760mmHg
Melting Point 142-146 °C
Molecular Formula C8H7F3N2S
Molecular Weight 220.21500
Flash Point 102.1ºC
Exact Mass 220.02800
PSA 70.14000
LogP 3.13420
InChIKey OWTDDZMFRLUBQI-UHFFFAOYSA-N
SMILES NC(=S)Nc1ccc(C(F)(F)F)cc1

 Safety Information

Symbol GHS07
GHS07
Signal Word Warning
Hazard Statements H315-H317-H319-H335
Precautionary Statements P261-P280-P305 + P351 + P338
Personal Protective Equipment dust mask type N95 (US);Eyeshields;Faceshields;Gloves
Hazard Codes Xi: Irritant;
Risk Phrases R22
Safety Phrases S26-S36/37
RIDADR 2811
WGK Germany 3
Packaging Group III
Hazard Class 6.1
HS Code 2930909090

 Synthetic Route

4-Aminobenzotrifluoride structure

4-Aminobenzotri...

CAS#:455-14-1

Potassium thiocyanate structure

Potassium thioc...

CAS#:333-20-0

~99%

4-(Trifluoromethyl)phenylthiourea Structure

4-(Trifluoromet...

CAS#:1736-72-7

Literature: NOVO NORDISK A/S Patent: WO2004/2480 A1, 2004 ; Location in patent: Page/Page column 150 ; WO 2004/002480 A1
p-Trifluoromethylphenylisothiocyanate structure

p-Trifluorometh...

CAS#:1645-65-4

~%

4-(Trifluoromethyl)phenylthiourea Structure

4-(Trifluoromet...

CAS#:1736-72-7

Literature: WO2007/5785 A1, ; Page/Page column 29-30 ;
4-Aminobenzotrifluoride structure

4-Aminobenzotri...

CAS#:455-14-1

ammonium;thiocyanate structure

ammonium;thiocyanate

CAS#:1147550-11-5

~12%

4-(Trifluoromethyl)phenylthiourea Structure

4-(Trifluoromet...

CAS#:1736-72-7

Literature: THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY; AUCKLAND UNISERVICES LIMITED Patent: WO2009/114552 A1, 2009 ; Location in patent: Page/Page column 149 ;
N-{[4-(Trifluoromethyl)phenyl]carbamothioyl}benzamide structure

N-{[4-(Trifluor...

CAS#:117174-71-7

~88%

4-(Trifluoromethyl)phenylthiourea Structure

4-(Trifluoromet...

CAS#:1736-72-7

Literature: Rasmussen, C. R.; Villani, F. J.; Weaner, L. E.; Reynolds, B. E.; Hood, A. R.; et al. Synthesis, 1988 , # 6 p. 456 - 459
4-Aminobenzotrifluoride structure

4-Aminobenzotri...

CAS#:455-14-1

~%

4-(Trifluoromethyl)phenylthiourea Structure

4-(Trifluoromet...

CAS#:1736-72-7

Literature: Journal of Medicinal Chemistry, , vol. 40, # 12 p. 1901 - 1905
ammonium;thiocyanate structure

ammonium;thiocyanate

CAS#:1147550-11-5

4-(Trifluoromethyl)aniline Hydrochloride structure

4-(Trifluoromet...

CAS#:90774-69-9

~%

4-(Trifluoromethyl)phenylthiourea Structure

4-(Trifluoromet...

CAS#:1736-72-7

Literature: Bioorganic and Medicinal Chemistry, , vol. 14, # 16 p. 5678 - 5682
N/A structure

N/A

CAS#:1226922-10-6

~%

4-(Trifluoromethyl)phenylthiourea Structure

4-(Trifluoromet...

CAS#:1736-72-7

Literature: Synthetic Communications, , vol. 42, # 7 p. 951 - 958

 Customs

HS Code 2930909090
Summary 2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

 Synonyms

MFCD00041189
N-[4-(Trifluoromethyl)phenyl]thiourea
[4-(trifluoromethyl)phenyl]thiourea
1-(4-(Trifluoromethyl)phenyl)thiourea
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