4-Amino-2-(trifluoromethyl)benzonitrile

Modify Date: 2026-07-03 12:00:05

4-Amino-2-(trifluoromethyl)benzonitrile Structure
4-Amino-2-(trifluoromethyl)benzonitrile structure
Common Name 4-Amino-2-(trifluoromethyl)benzonitrile
CAS Number 654-70-6 Molecular Weight 186.134
Density 1.4±0.1 g/cm3 Boiling Point 294.5±40.0 °C at 760 mmHg
Molecular Formula C8H5F3N2 Melting Point 141-145 °C(lit.)
MSDS Chinese USA Flash Point 131.9±27.3 °C
Symbol GHS07
GHS07
Signal Word Warning

 Names

This table lists Chinese names, IUPAC names and various aliases of this chemical substance.

Name 4-Amino-2-(trifluoromethyl)benzonitrile
Synonym More Synonyms

 Chemical & Physical Properties

This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.

Density 1.4±0.1 g/cm3
Boiling Point 294.5±40.0 °C at 760 mmHg
Melting Point 141-145 °C(lit.)
Molecular Formula C8H5F3N2
Molecular Weight 186.134
Flash Point 131.9±27.3 °C
Exact Mass 186.040482
PSA 49.81000
LogP 2.93
Vapour Pressure 0.0±0.6 mmHg at 25°C
Index of Refraction 1.500
InChIKey PMDYLCUKSLBUHO-UHFFFAOYSA-N
SMILES N#Cc1ccc(N)cc1C(F)(F)F
Storage condition Room temperature.

 MSDS

This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.

 Safety Information

This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.

Symbol GHS07
GHS07
Signal Word Warning
Hazard Statements H302-H317
Precautionary Statements P280
Personal Protective Equipment dust mask type N95 (US);Eyeshields;Faceshields;Gloves
Hazard Codes Xn:Harmful
Risk Phrases R22;R36/37/38
Safety Phrases S36-S45-S37/39-S26
RIDADR 3439
WGK Germany 3
Packaging Group III
Hazard Class 6.1
HS Code 2926909090

 Synthetic Route

This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.

~78%

4-Amino-2-(trifluoromethyl)benzonitrile Structure

4-Amino-2-(trif...

CAS#:654-70-6

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Literature: AGOURON PHARMACEUTICALS, INC. Patent: EP365763 A1, 1990 ;

~%

4-Amino-2-(trifluoromethyl)benzonitrile Structure

4-Amino-2-(trif...

CAS#:654-70-6

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Literature: Journal of the American Chemical Society, , vol. 76, p. 1051,1054

~76%

4-Amino-2-(trifluoromethyl)benzonitrile Structure

4-Amino-2-(trif...

CAS#:654-70-6

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Literature: Jones, Terence R.; Varney, Michael D.; Webber, Stephen E.; Lewis, Kathleen K.; Marzoni, Gifford P.; Palmer, Cindy L.; Kathardekar, Vinit; Welsh, Katharine M.; Webber, Stephanie; Matthews, David A.; Appelt, Krzysztof; Smith, Ward W.; Janson, Cheryl A.; Villafranca; Bacquet, Russell J.; Howland, Eleanor F.; Booth, Carol L. J.; Herrmann, Steven M.; Ward, Robert W.; White, Jennifer; Moomaw, Ellen W.; Bartlett, Charlotte A.; Morse, Cathy A. Journal of Medicinal Chemistry, 1996 , vol. 39, # 4 p. 904 - 917

~%

4-Amino-2-(trifluoromethyl)benzonitrile Structure

4-Amino-2-(trif...

CAS#:654-70-6

Learn More
Literature: Bioorganic and Medicinal Chemistry Letters, , vol. 17, # 7 p. 1860 - 1864

~%

4-Amino-2-(trifluoromethyl)benzonitrile Structure

4-Amino-2-(trif...

CAS#:654-70-6

Learn More
Literature: Bioorganic and Medicinal Chemistry Letters, , vol. 17, # 7 p. 1860 - 1864

~%

4-Amino-2-(trifluoromethyl)benzonitrile Structure

4-Amino-2-(trif...

CAS#:654-70-6

Learn More
Literature: Bioorganic and Medicinal Chemistry Letters, , vol. 17, # 7 p. 1860 - 1864

~%

4-Amino-2-(trifluoromethyl)benzonitrile Structure

4-Amino-2-(trif...

CAS#:654-70-6

Learn More
Literature: Bioorganic and Medicinal Chemistry Letters, , vol. 17, # 7 p. 1860 - 1864

 Customs

This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.

HS Code 2926909090
Summary HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

 Synonyms

This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.

Bicalutamide intermediate F
2-CYANO-5-AMINOBENZOTRIFLUORIDE
5-AMINO-2-CYANO BENZOTRIFLUORID
MFCD00042155
4-amino-2-trifluoromethyl-benzonitrile
4-Cyano-3-Trifluoromethylanili
5-AMINO-2-CYANOBENZOTRIFLUORIDE
BUTTPARK 22 1-63
4-amino-2-trifluoromethylbenzonittrile
3-Amino-6-cyanobenzotrifluoride
Bicalutamide Impurity 6

 4-Amino-2-(trifluoromethyl)benzonitrile | FAQ

This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.

Q: What is the polar surface area (PSA) of 4-Amino-2-(trifluoromethyl)benzonitrile?
A: Polar surface area (PSA) of 4-Amino-2-(trifluoromethyl)benzonitrile is 49.81000.
Q: What is the melting point of 4-Amino-2-(trifluoromethyl)benzonitrile?
A: Melting point of 4-Amino-2-(trifluoromethyl)benzonitrile is 141-145 °C(lit.).
Q: What are the downstream products of 4-Amino-2-(trifluoromethyl)benzonitrile?
A: Related downstream products(CAS) of 4-Amino-2-(trifluoromethyl)benzonitrile: 90356-78-8;90357-53-2;90357-06-5;90357-51-0;915087-33-1;206193-17-1;852569-35-8;97760-99-1;694499-26-8.
Q: What are the upstream materials of 4-Amino-2-(trifluoromethyl)benzonitrile?
A: Related upstream materials(CAS) of 4-Amino-2-(trifluoromethyl)benzonitrile: 393-36-2;320-41-2;544-92-3;41513-05-7;351-36-0;98-16-8;97760-99-1.
Q: What are the storage conditions for 4-Amino-2-(trifluoromethyl)benzonitrile?
A: Storage conditions for 4-Amino-2-(trifluoromethyl)benzonitrile: Room temperature.
Q: What is the safety information for 4-Amino-2-(trifluoromethyl)benzonitrile?
A: Safety information for 4-Amino-2-(trifluoromethyl)benzonitrile: S36-S45-S37/39-S26.
Q: What is the LogP of 4-Amino-2-(trifluoromethyl)benzonitrile?
A: LogP of 4-Amino-2-(trifluoromethyl)benzonitrile is 2.93.
Q: What is the English name of 4-Amino-2-(trifluoromethyl)benzonitrile?
A: The English name of 4-Amino-2-(trifluoromethyl)benzonitrile is 4-Amino-2-(trifluoromethyl)benzonitrile.
Q: What is the CAS number of 4-Amino-2-(trifluoromethyl)benzonitrile?
A: CAS number of 4-Amino-2-(trifluoromethyl)benzonitrile is 654-70-6.
Q: What English synonyms does 4-Amino-2-(trifluoromethyl)benzonitrile have?
A: English synonyms of 4-Amino-2-(trifluoromethyl)benzonitrile: Bicalutamide intermediate F, 2-CYANO-5-AMINOBENZOTRIFLUORIDE, 5-AMINO-2-CYANO BENZOTRIFLUORID, MFCD00042155, 4-amino-2-trifluoromethyl-benzonitrile, 4-Cyano-3-Trifluoromethylanili, 5-AMINO-2-CYANOBENZOTRIFLUORIDE, BUTTPARK 22 1-63, 4-amino-2-trifluoromethylbenzonittrile, 3-Amino-6-cyanobenzotrifluoride, Bicalutamide Impurity 6.

 4-Amino-2-(trifluoromethyl)benzonitrilefactory

This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.

Shanghai Nianxing Industrial Co., Ltd
Dayang Chem (Hangzhou) Co., Ltd.
Henan Tianfu Chemical Co., Ltd.
Zhongshan Xingrui Chemical Co. , Ltd.
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