4-Cyanobenzaldehyde

CAS No.：105-07-7

Important Notice

This product is a chemical product/pharmaceutical intermediate. It is not a drug, an active pharmaceutical ingredient (API), or a pharmaceutical-grade material. It has not been granted a drug approval number or a Chemical Drug Substance Approval Notice, has not passed drug-related review and approval, and is not manufactured, tested, or released in accordance with pharmaceutical GMP.
This product is intended solely for non-clinical research, process development, quality studies, further chemical processing, or chemical synthesis. It must not be used in drug-product manufacturing, clinical trials, clinical diagnosis, or administration to humans or animals, or be sold, used as an input, submitted for regulatory filing, or released as an API or pharmaceutical material.
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4-Cyanobenzaldehyde Basic information

Product Name:	4-Cyanobenzaldehyde
Synonyms:	CYANOBENZALDEHYDE(4-);LABOTEST-BB LT00616269;P-CYANOBENZALDEHYDE;TIMTEC-BB SBB008634;4-Cyanbenzaldehyd;4-formyl-benzonitril;Benzaldehyde, p-cyano-;4-FORMYLBENZONITRILE
CAS:	105-07-7
MF:	C8H5NO
MW:	131.13
EINECS:	203-267-3
Product Categories:	Aromatic Aldehydes & Derivatives (substituted);Aldehydes;FINE Chemical & INTERMEDIATES;Liquid Crystal intermediates;Phenyls & Phenyl-Het;Benzaldehyde;Benzonitriles (Building Blocks for Liquid Crystals);Building Blocks for Liquid Crystals;Functional Materials;Phenyls & Phenyl-Het
Mol File:	105-07-7.mol

4-Cyanobenzaldehyde Chemical Properties

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.	Store below +30°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	Benzonitrile, 4-formyl- (105-07-7)

Safety Information

Hazard Codes	Xn,Xi
Risk Statements	20/21/22-36/37/38
Safety Statements	36/37-36-26
RIDADR	3439
WGK Germany	3
RTECS	CU5250000
Hazard Note	Irritant
TSCA	Yes
HazardClass	6.1
PackingGroup	III
HS Code	29269095

MSDS Information

Provider	Language
4-Cyanobenzaldehyde	English
SigmaAldrich	English
ACROS	English
ALFA	English

4-Cyanobenzaldehyde Usage And Synthesis

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.
Uses	4-Formylbenzonitrile can be used in the synthesis of various boron-dipyrromethenes (BODIPY), porphyrins, corroles and other related macrocycles.
Uses	4-Cyanobenzaldehyde is used as a reagent in the synthesis of hydrazone based inhibitors of adipose-triglyceride lipase (ATGL). 4-Cyanobenzaldehyde is also used as a reagent in the synthesis of BAZ2-ICR which is a chemical probe targeting the bromo domains of BAZ2A and BAZ2B.
Synthesis Reference(s)	Synthesis, p. 747, 1984 DOI: 10.1055/s-1984-30956Tetrahedron Letters, 34, p. 8037, 1993 DOI: 10.1016/S0040-4039(00)61444-2

4-Cyanobenzaldehyde Preparation Products And Raw materials

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

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