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24964-64-5,MFCD00003344
Catalog No.:AA002PY6

24964-64-5 | 3-Cyanobenzaldehyde

Pack Size
Purity
Availability
Price(USD)
Quantity
  
5g
98%
in stock  
$6.00   $4.00
- +
10g
98%
in stock  
$7.00   $5.00
- +
25g
98%
in stock  
$16.00   $11.00
- +
100g
95%
in stock  
$30.00   $21.00
- +
500g
98%
in stock  
$128.00   $89.00
- +
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA002PY6
Chemical Name:
3-Cyanobenzaldehyde
CAS Number:
24964-64-5
Molecular Formula:
C8H5NO
Molecular Weight:
131.1314
MDL Number:
MFCD00003344
SMILES:
O=Cc1cccc(c1)C#N
Properties
Properties
 
BP:
210.8°C at 760 mmHg  
Form:
Solid  
MP:
75-78 °C(lit.)  
Refractive Index:
1.4700 (estimate)  
Stability:
Air Sensitive  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
167  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
1  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
1.2  

Upstream Synthesis Route

[1]CatalysisScienceandTechnology,2015,vol.5,#4,p.2406-2417

[1]Patent:US6509335,2003,B1,

[1]Synlett,2016,vol.27,#9,p.1344-1348

[2]BulletinoftheKoreanChemicalSociety,2011,vol.32,#6,p.2070-2072

[1]Patent:WO2009/26248,2009,A2,.Locationinpatent:Page/Pagecolumn52;53

[1]ChemistryLetters,1987,p.1113-1116

Downstream Synthesis Route

[1]ChemischeBerichte,1891,vol.24,p.2422

[1]JournaloftheAmericanChemicalSociety,1984,vol.106,p.8001-8002

[2]AdvancedSynthesisandCatalysis,2010,vol.352,p.2166-2170

[3]AdvancedSynthesisandCatalysis,2013,vol.355,p.3420-3424

[4]Patent:CN110803973,2020,A.Locationinpatent:Paragraph0051-0054

[5]TetrahedronLetters,1987,vol.28,p.3941-3944

[6]ChemicalCommunications,2002,p.836-837

[7]Synthesis,1979,p.704-705

[8]OrganicLetters,2014,vol.16,p.390-393

2565-47-1    24964-64-5   
5-(3-Cyanobenzyliden)-N-methyl-hexahydropyrimidin-2,4,6-trion 

[1]ArchivderPharmazie,1982,vol.315,p.346-353

[1]JournalofOrganicChemistry,1984,vol.49,p.3069-3083

[1]LiebigsAnnalenderChemie,1991,p.1157-1164

Literature

Title: 3-(3-Cyano-phen-yl)-N-phenyl-oxirane-2-carboxamide.

Journal: Acta crystallographica. Section E, Structure reports online 20101001

Title: (E)-1-(3-Cyano-benzyl-idene)thio-semi-carbazide N,N-dimethyl-formamide solvate.

Journal: Acta crystallographica. Section E, Structure reports online 20100201

Title: 3-(1H-Imidazo[4,5-f][1,10]phenanthrolin-2-yl)benzonitrile methanol solvate.

Journal: Acta crystallographica. Section E, Structure reports online 20100101

Title: 3-[(E)-(7-Chloro-4-quinol-yl)hydrazono-meth-yl]benzonitrile monohydrate.

Journal: Acta crystallographica. Section E, Structure reports online 20091201

Title: A two-dimensional network formed by self-associating silver(I) perchlorate with 3-[4-(2-thienyl)-2H-cyclopenta[d]pyridazin-1-yl]benzonitrile.

Journal: Acta crystallographica. Section C, Crystal structure communications 20090201

Title: Noncentrosymmetric organic solids with very strong harmonic generation response.

Journal: Chemistry (Weinheim an der Bergstrasse, Germany) 20040517

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SDS
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Tags:24964-64-5 Molecular Formula|24964-64-5 MDL|24964-64-5 SMILES|24964-64-5 3-Cyanobenzaldehyde
Catalog No.: AA002PY6
24964-64-5,MFCD00003344
24964-64-5 | 3-Cyanobenzaldehyde
Pack Size： 5g
Purity： 98%
in stock
$6.00 $4.00
Pack Size： 10g
Purity： 98%
in stock
$7.00 $5.00
Pack Size： 25g
Purity： 98%
in stock
$16.00 $11.00
Pack Size： 100g
Purity： 95%
in stock
$30.00 $21.00
Pack Size： 500g
Purity： 98%
in stock
$128.00 $89.00
Quantity
- +
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Technical Information
Catalog Number: AA002PY6
Chemical Name: 3-Cyanobenzaldehyde
CAS Number: 24964-64-5
Molecular Formula: C8H5NO
Molecular Weight: 131.1314
MDL Number: MFCD00003344
SMILES: O=Cc1cccc(c1)C#N
Properties
BP: 210.8°C at 760 mmHg  
Form: Solid  
MP: 75-78 °C(lit.)  
Refractive Index: 1.4700 (estimate)  
Stability: Air Sensitive  
Storage: Keep in dry area;Room Temperature;  
Complexity: 167  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 10  
Hydrogen Bond Acceptor Count: 2  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 1  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 1.2  
Upstream Synthesis Route
24964-64-5    64407-07-4 

[1]CatalysisScienceandTechnology,2015,vol.5,#4,p.2406-2417

24964-64-5    115-20-8    244621-31-6 

[1]Patent:US6509335,2003,B1,

64-17-5    24964-64-5    2463-16-3 

[1]Synlett,2016,vol.27,#9,p.1344-1348

[2]BulletinoftheKoreanChemicalSociety,2011,vol.32,#6,p.2070-2072

24964-64-5    1877-77-6 

[1]Patent:WO2009/26248,2009,A2,.Locationinpatent:Page/Pagecolumn52;53

201230-82-2    100-47-0    24964-64-5    874-89-5    7468-67-9    874-97-5 

[1]ChemistryLetters,1987,p.1113-1116

Downstream Synthesis Route
64407-07-4    24964-64-5 

[1]ChemischeBerichte,1891,vol.24,p.2422

1877-72-1    24964-64-5 

[1]JournaloftheAmericanChemicalSociety,1984,vol.106,p.8001-8002

[2]AdvancedSynthesisandCatalysis,2010,vol.352,p.2166-2170

[3]AdvancedSynthesisandCatalysis,2013,vol.355,p.3420-3424

[4]Patent:CN110803973,2020,A.Locationinpatent:Paragraph0051-0054

[5]TetrahedronLetters,1987,vol.28,p.3941-3944

[6]ChemicalCommunications,2002,p.836-837

[7]Synthesis,1979,p.704-705

[8]OrganicLetters,2014,vol.16,p.390-393

2565-47-1    24964-64-5   
5-(3-Cyanobenzyliden)-N-methyl-hexahydropyrimidin-2,4,6-trion 

[1]ArchivderPharmazie,1982,vol.315,p.346-353

24964-64-5    22884-29-3    90433-30-0 

[1]JournalofOrganicChemistry,1984,vol.49,p.3069-3083

24964-64-5    95061-47-5    135505-04-3    135505-03-2 

[1]LiebigsAnnalenderChemie,1991,p.1157-1164

Literature fold

Title: 3-(3-Cyano-phen-yl)-N-phenyl-oxirane-2-carboxamide.

Journal: Acta crystallographica. Section E, Structure reports online20101001

Title: (E)-1-(3-Cyano-benzyl-idene)thio-semi-carbazide N,N-dimethyl-formamide solvate.

Journal: Acta crystallographica. Section E, Structure reports online20100201

Title: 3-(1H-Imidazo[4,5-f][1,10]phenanthrolin-2-yl)benzonitrile methanol solvate.

Journal: Acta crystallographica. Section E, Structure reports online20100101

Title: 3-[(E)-(7-Chloro-4-quinol-yl)hydrazono-meth-yl]benzonitrile monohydrate.

Journal: Acta crystallographica. Section E, Structure reports online20091201

Title: A two-dimensional network formed by self-associating silver(I) perchlorate with 3-[4-(2-thienyl)-2H-cyclopenta[d]pyridazin-1-yl]benzonitrile.

Journal: Acta crystallographica. Section C, Crystal structure communications20090201

Title: Noncentrosymmetric organic solids with very strong harmonic generation response.

Journal: Chemistry (Weinheim an der Bergstrasse, Germany)20040517

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