ChemicalBook--->CAS DataBase List--->105-07-7

105-07-7

105-07-7 Structure

105-07-7 Structure
IdentificationMore
[Name]

4-Cyanobenzaldehyde
[CAS]

105-07-7
[Synonyms]

4-CYANOBENZALDEHYDE
4-FORMYLBENZONITRILE
CYANOBENZALDEHYDE(4-)
LABOTEST-BB LT00616269
P-CYANOBENZALDEHYDE
TIMTEC-BB SBB008634
4-Cyanbenzaldehyd
4-formyl-benzonitril
Benzaldehyde, p-cyano-
Benzaldehyde,p-cyano-
Benzonitrile, p-formyl-
Benzonitrile,4-formyl-
p-cyano-benzaldehyd
p-Cyanobenzenecarboxaldehyde
p-Formylbenzonitrile
Terephthalaldehydonitrile
USAF kf-1
usafkf-1
4-CYANOBENZALDEHYDE CRYSTALLINE
4-Cyanobenzaldehyde, 98+%
[EINECS(EC#)]

203-267-3
[Molecular Formula]

C8H5NO
[MDL Number]

MFCD00003376
[Molecular Weight]

131.13
[MOL File]

105-07-7.mol
Chemical PropertiesBack Directory
[Appearance]

WHITE TO SLIGHTLY BEIGE CRYSTALLINE POWDER
[Melting point ]

100102°C
[Boiling point ]

133°C12mm Hg
[density ]

1.1971 (rough estimate)
[refractive index ]

1.4700 (estimate)
[Fp ]

133°C/12mm
[storage temp. ]

2-8°C
[form ]

Crystalline Powder
[color ]

White to slightly beige
[Water Solubility ]

It is soluble in water, ethanol, ether and chloroform.
[Sensitive ]

Air Sensitive
[BRN ]

606473
[InChIKey]

WZWIQYMTQZCSKI-UHFFFAOYSA-N
[CAS DataBase Reference]

105-07-7(CAS DataBase Reference)
[NIST Chemistry Reference]

Benzonitrile, 4-formyl-(105-07-7)
[EPA Substance Registry System]

105-07-7(EPA Substance)
Questions And AnswerBack Directory
[Preparation]

Synthesis steps of 4-cyanobenzaldehyde:

(1) Take 20 mL of p-dimethylbenzene and place it in a reaction vessel. Heat the reaction vessel to 130-135℃ and add the solvent N,N-dimethylformamide DMF, catalyst and co-catalyst in sequence. The amount of N,N-dimethylformamide DMF added is 20-25 mL, and the amount of catalyst and co-catalyst added is 2.5-3.0 g and 10-15 g, respectively. Control the oxygen flow rate to 900 mL/min and the hydrogen flow rate to 100 mL/min. React for 4-5 h; (2) Cool the above reaction solution to room temperature. The obtained transparent colorless crystals are p-methylbenzonitrile. Wash the obtained crystals 2-3 times with DMF and then filter out the impurities. (2) Remove the DMF solvent to obtain p-methylbenzonitrile with a purity higher than 90%; (3) Place the p-methylbenzonitrile synthesized in step (2) above into a reaction vessel, heat the reaction vessel to 110-115℃, and add the solvent N,N-dimethylformamide DMF, catalyst and co-catalyst in sequence. The amount of N,N-dimethylformamide DMF added is 10-15mL, and the amount of catalyst and co-catalyst added is 1.0-1.5g and 8.0-9.0g, respectively. Control the oxygen flow rate to be 900mL/min and the hydrogen flow rate to be 100mL/min. React for 2-3h, and the resulting white crystalline powder is 4-cyanobenzaldehyde.

Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302+H312+H332
[Precautionary statements ]

P261-P264-P280-P301+P312-P302+P352+P312-P304+P340+P312
[Hazard Codes ]

Xn,Xi
[Risk Statements ]

R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S36/37:Wear suitable protective clothing and gloves .
S36:Wear suitable protective clothing .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
[RIDADR ]

3439
[WGK Germany ]

3
[RTECS ]

CU5250000
[Hazard Note ]

Irritant
[TSCA ]

Yes
[HazardClass ]

6.1
[PackingGroup ]

III
[HS Code ]

29269095
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Chloroform-->Carbon tetrachloride-->N-Bromosuccinimide-->Benzoyl peroxide-->Hexamethylenetetramine-->p-Tolunitrile
[Preparation Products]

4-Cyanostyrene-->4-Cyanobenzophenone-->3-(4-Cyano-phenyl)-3-oxo-propionic acid ethyl ester-->(4-Cyanobenzyl)phosphonic acid diethyl ester-->4-(Difluoromethyl)benzonitrile-->tert-Butyl 4-(bromomethyl)benzylcarbamate-->4'-Cyano-2,2,2-trifluoroacetophenone-->(4-Aminomethyl-phenyl)-methanol-->3,4-Dihydroisoquinoline-->1,4-Bis(4-cyanostyryl)benzene-->Benzamide, 3-(hydroxymethyl)- (9CI)-->(E)-tert-butyl 3-(4-cyanophenyl)acrylate
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

4-Cyanobenzaldehyde(105-07-7).msds
Hazard InformationBack Directory
[Chemical Properties]

WHITE TO SLIGHTLY BEIGE CRYSTALLINE POWDER
[Uses]

4-Cyanobenzaldehyde, is used as an intermediate for organic synthesis.It is also used as an intermediate in the pharmaceutical and research department.
[Definition]

ChEBI: 4-cyanobenzaldehyde is a member of benzaldehydes.
[Synthesis Reference(s)]

Synthesis, p. 747, 1984 DOI: 10.1055/s-1984-30956
Tetrahedron Letters, 34, p. 8037, 1993 DOI: 10.1016/S0040-4039(00)61444-2
Spectrum DetailBack Directory
[Spectrum Detail]

4-Cyanobenzaldehyde(105-07-7)MS
4-Cyanobenzaldehyde(105-07-7)1HNMR
4-Cyanobenzaldehyde(105-07-7)13CNMR
4-Cyanobenzaldehyde(105-07-7)IR1
4-Cyanobenzaldehyde(105-07-7)IR2
4-Cyanobenzaldehyde(105-07-7)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

4-Cyanobenzaldehyde, 98%(105-07-7)
[Alfa Aesar]

4-Cyanobenzaldehyde, 98+%(105-07-7)
[Sigma Aldrich]

105-07-7(sigmaaldrich)
[TCI AMERICA]

4-Cyanobenzaldehyde,>98.0%(GC)(T)(105-07-7)
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