2,2-difluoro-2-phenylacetonitrile

Modify Date: 2025-09-26 20:13:30

2,2-difluoro-2-phenylacetonitrile Structure
2,2-difluoro-2-phenylacetonitrile structure
Common Name 2,2-difluoro-2-phenylacetonitrile
CAS Number 2002-72-4 Molecular Weight 153.12900
Density 1.554g/cm3 Boiling Point 252.5ºC at 760mmHg
Molecular Formula C8H5F2N Melting Point N/A
MSDS N/A Flash Point 106.5ºC

 Names

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

Name 2,2-difluoro-2-phenylacetonitrile
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 1.554g/cm3
Boiling Point 252.5ºC at 760mmHg
Molecular Formula C8H5F2N
Molecular Weight 153.12900
Flash Point 106.5ºC
Exact Mass 153.03900
PSA 23.79000
LogP 2.30198
Vapour Pressure 1.788mmHg at 25°C
Index of Refraction 1.471
InChIKey ZXRSVNNZHVTXIL-UHFFFAOYSA-N
SMILES N#CC(F)(F)c1ccccc1

 Safety Information

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

Hazard Codes T: Toxic;
HS Code 2926909090

 Synthetic Route

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

~59%

2,2-difluoro-2-phenylacetonitrile Structure

2,2-difluoro-2-...

CAS#:2002-72-4

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Literature: Middleton, W. J.; Bingham, E. M. Journal of Organic Chemistry, 1980 , vol. 45, # 14 p. 2883 - 2887

~70%

2,2-difluoro-2-phenylacetonitrile Structure

2,2-difluoro-2-...

CAS#:2002-72-4

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Literature: Fukuhara, Tadahito; Hara, Shoji Synlett, 2009 , # 2 p. 198 - 200

~%

2,2-difluoro-2-phenylacetonitrile Structure

2,2-difluoro-2-...

CAS#:2002-72-4

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Literature: Haegele, Gerhard; Haas, Andreas Journal of Fluorine Chemistry, 1996 , vol. 76, # 1 p. 15 - 19

~%

2,2-difluoro-2-phenylacetonitrile Structure

2,2-difluoro-2-...

CAS#:2002-72-4

Learn More
Literature: Haegele, Gerhard; Haas, Andreas Journal of Fluorine Chemistry, 1996 , vol. 76, # 1 p. 15 - 19

~%

2,2-difluoro-2-phenylacetonitrile Structure

2,2-difluoro-2-...

CAS#:2002-72-4

Learn More
Literature: Middleton, W. J.; Bingham, E. M. Journal of Organic Chemistry, 1980 , vol. 45, # 14 p. 2883 - 2887

~%

2,2-difluoro-2-phenylacetonitrile Structure

2,2-difluoro-2-...

CAS#:2002-72-4

Learn More
Literature: Middleton, W. J.; Bingham, E. M. Journal of Organic Chemistry, 1980 , vol. 45, # 14 p. 2883 - 2887

~%

2,2-difluoro-2-phenylacetonitrile Structure

2,2-difluoro-2-...

CAS#:2002-72-4

Learn More
Literature: Jagupol'skii; Belinskaja Zhurnal Obshchei Khimii, 1958 , vol. 28, p. 772,774; engl. Ausg. S. 750, 752

 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.

2,2-difluoro-3-phenylethanenitrile
Difluor-phenyl-acetonitril
2-Phenyl-2,2-difluoroacetonitrile
Benzeneacetonitrile,a,a-difluoro
2,2-difluoro-2-phenylethanenitrile

 2,2-difluoro-2-phenylacetonitrile | FAQ

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

Q: What is the SMILES notation of 2,2-difluoro-2-phenylacetonitrile?
A: SMILES notation of 2,2-difluoro-2-phenylacetonitrile is N#CC(F)(F)c1ccccc1.
Q: What is the LogP of 2,2-difluoro-2-phenylacetonitrile?
A: LogP of 2,2-difluoro-2-phenylacetonitrile is 2.30198.
Q: What is the CAS number of 2,2-difluoro-2-phenylacetonitrile?
A: CAS number of 2,2-difluoro-2-phenylacetonitrile is 2002-72-4.
Q: What is the polar surface area (PSA) of 2,2-difluoro-2-phenylacetonitrile?
A: Polar surface area (PSA) of 2,2-difluoro-2-phenylacetonitrile is 23.79000.
Q: What is the InChIKey of 2,2-difluoro-2-phenylacetonitrile?
A: InChIKey of 2,2-difluoro-2-phenylacetonitrile is ZXRSVNNZHVTXIL-UHFFFAOYSA-N.
Q: What is the boiling point of 2,2-difluoro-2-phenylacetonitrile?
A: Boiling point of 2,2-difluoro-2-phenylacetonitrile is 252.5ºC at 760mmHg.
Q: What English synonyms does 2,2-difluoro-2-phenylacetonitrile have?
A: English synonyms of 2,2-difluoro-2-phenylacetonitrile: 2,2-difluoro-3-phenylethanenitrile, Difluor-phenyl-acetonitril, 2-Phenyl-2,2-difluoroacetonitrile, Benzeneacetonitrile,a,a-difluoro, 2,2-difluoro-2-phenylethanenitrile.
Q: What is the molecular formula of 2,2-difluoro-2-phenylacetonitrile?
A: Molecular formula of 2,2-difluoro-2-phenylacetonitrile is C8H5F2N.
Q: What are the downstream products of 2,2-difluoro-2-phenylacetonitrile?
A: Related downstream products(CAS) of 2,2-difluoro-2-phenylacetonitrile: 360-03-2;2248-46-6;383-19-7.
Q: What is the English name of 2,2-difluoro-2-phenylacetonitrile?
A: The English name of 2,2-difluoro-2-phenylacetonitrile is 2,2-difluoro-2-phenylacetonitrile.

 2,2-difluoro-2-phenylacetonitrilefactory

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.
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