3,5-Difluorobenzonitrile

Modify Date: 2024-01-02 19:00:38

3,5-Difluorobenzonitrile Structure
3,5-Difluorobenzonitrile structure
 Common Name 3,5-Difluorobenzonitrile
CAS Number 64248-63-1 Molecular Weight 139.102
Density 1.3±0.1 g/cm3 Boiling Point 169.0±20.0 °C at 760 mmHg
Molecular Formula C7H3F2N Melting Point 84-86 °C(lit.)
MSDS Chinese USA Flash Point 56.0±21.8 °C
Symbol GHS07
GHS07		 Signal Word Warning

 Names

Name 3,5-Difluorobenzonitrile
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.3±0.1 g/cm3
Boiling Point 169.0±20.0 °C at 760 mmHg
Melting Point 84-86 °C(lit.)
Molecular Formula C7H3F2N
Molecular Weight 139.102
Flash Point 56.0±21.8 °C
Exact Mass 139.023361
PSA 23.79000
LogP 1.32
Vapour Pressure 1.6±0.3 mmHg at 25°C
Index of Refraction 1.486

 Safety Information

Symbol GHS07
GHS07
Signal Word Warning
Hazard Statements H302 + H312 + H332-H315-H319-H335
Precautionary Statements P261-P280-P305 + P351 + P338
Personal Protective Equipment dust mask type N95 (US);Eyeshields;Gloves
Hazard Codes Xn:Harmful
Risk Phrases R20/21/22;R36/37/38
Safety Phrases S26-S36-S36/37/39
RIDADR 3276
WGK Germany 3
Packaging Group III
Hazard Class 6.1
HS Code 2926909090

 Synthetic Route

1-Bromo-3,5-difluorobenzene structure

1-Bromo-3,5-dif...

CAS#:461-96-1

~82%

3,5-Difluorobenzonitrile Structure

3,5-Difluoroben...

CAS#:64248-63-1

Literature: Ishii, Genki; Harigae, Ryo; Moriyama, Katsuhiko; Togo, Hideo Tetrahedron, 2013 , vol. 69, # 5 p. 1462 - 1469
1-Bromo-3,5-difluorobenzene structure

1-Bromo-3,5-dif...

CAS#:461-96-1

Acetone cyanohydrin structure

Acetone cyanohydrin

CAS#:75-86-5

~95%

3,5-Difluorobenzonitrile Structure

3,5-Difluoroben...

CAS#:64248-63-1

Literature: Cristau, Henri-Jean; Ouali, Armelle; Spindler, Jean-Francis; Taillefer, Marc Chemistry - A European Journal, 2005 , vol. 11, # 8 p. 2483 - 2492
1-Bromo-3,5-difluorobenzene structure

1-Bromo-3,5-dif...

CAS#:461-96-1

Copper cyanide structure

Copper cyanide

CAS#:544-92-3

~77%

3,5-Difluorobenzonitrile Structure

3,5-Difluoroben...

CAS#:64248-63-1

Literature: Kruse; Kaiser; DeWolf Jr.; Frazee; Ross; Wawro; Wise; Flaim; Sawyer; Erickson Journal of Medicinal Chemistry, 1987 , vol. 30, # 3 p. 486 - 494
2,4-Difluoroaniline structure

2,4-Difluoroaniline

CAS#:367-25-9

~%

3,5-Difluorobenzonitrile Structure

3,5-Difluoroben...

CAS#:64248-63-1

Literature: Journal of Medicinal Chemistry, , vol. 30, # 3 p. 486 - 494
2-bromo-4,6-difluoroaniline hydrobromide structure

2-bromo-4,6-dif...

CAS#:101471-20-9

~%

3,5-Difluorobenzonitrile Structure

3,5-Difluoroben...

CAS#:64248-63-1

Literature: Journal of Medicinal Chemistry, , vol. 30, # 3 p. 486 - 494
3,5-Dinitrobenzonitrile structure

3,5-Dinitrobenz...

CAS#:4110-35-4

~86%

3,5-Difluorobenzonitrile Structure

3,5-Difluoroben...

CAS#:64248-63-1

Literature: Adams, David J.; Clark, James H.; Nightingale, David J. Synthetic Communications, 1998 , vol. 28, # 23 p. 4295 - 4301
perfluorobenzonitrile structure

perfluorobenzon...

CAS#:773-82-0

~%

2,3,5,6-tetrafluorobenyl alcohol structure

2,3,5,6-tetrafl...

CAS#:4084-38-2

3,5-Difluorobenzonitrile Structure

3,5-Difluoroben...

CAS#:64248-63-1

2,3,5,6-Tetrafluorobenzonitrile structure

2,3,5,6-Tetrafl...

CAS#:5216-17-1

Detail
Literature: Journal of Fluorine Chemistry, , vol. 96, # 2 p. 175 - 185
N/A structure

N/A

CAS#:125330-16-7

~%

3,5-Difluorobenzonitrile Structure

3,5-Difluoroben...

CAS#:64248-63-1

Literature: Journal of Organic Chemistry, , vol. 58, # 27 p. 7700 - 7708

 Customs

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%

 Articles1

More Articles
3,5-Difluorobenzonitrile: ab initio calculations, FTIR and Raman spectra.

Spectrochim. Acta. A. Mol. Biomol. Spectrosc. 58(9) , 1987-2004, (2002)

Geometry, vibrational wavenumbers and several thermodynamic parameters were calculated using ab initio quantum chemical methods for the 3,5-difluorobenzonitrile molecule. The results were compared wit...

 Synonyms

3,5-F2-C6H3CN
5-CYANO-1,3-DIFLUOROBENZENE
NCR CF EF
3,5-Difluorobenzonitril
EINECS 264-752-3
3,5-DIFLUOROBENZEONITRILE
MFCD00010311
3,5-Difluoro-1-benzonitrile
3,5-Difluorobenzonit
NC-3,5-F2-C6H3
3,5-Difluorobenzonitrile
3,5-difiuorobenzonitrile
Benzonitrile, 3,5-difluoro-
Benzonitrile,3,5-difluoro
3,5-difluoro nitrile
3,5-difluoro-benzonitrile
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