| Identification | More | [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 Properties | Back 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 Answer | Back 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 Data | Back Directory | [Symbol(GHS) ]
 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 |
| Hazard Information | Back 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 |
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