2-(4-Chlorophenyl)-2-cyanoacetaldehyde supplier

Name
2-(4-Chlorophenyl)-2-cyanoacetaldehyde
EINECS
CAS No. 62538-21-0
Article Data12
CAS DataBase
Density 1.263 g/cm³
Solubility
Melting Point 144-146 °C
Formula C₉H₆ClNO
Boiling Point 283.8 °C at 760 mmHg
Molecular Weight 179.606
Flash Point 125.4 °C
Transport Information
Appearance
Safety 26-36/37/39
Risk Codes 20/21/22-36/37/38
Molecular Structure
Hazard Symbols Xi,Xn
Synonyms Acetaldehyde,(p-chlorophenyl)cyano- (7CI);2-(4-Chlorophenyl)-2-formylacetonitrile;2-(4-Chlorophenyl)-3-oxopropanenitrile;
PSA 40.86000
LogP 2.14608

2-(4-Chlorophenyl)-2-cyanoacetaldehyde Specification

The 2-(4-Chlorophenyl)-2-cyanoacetaldehyde is an organic compound with the formula C₉H₆ClNO. The IUPAC name of this chemical is 2-(4-chlorophenyl)-3-oxopropanenitrile. With the CAS registry number 62538-21-0, it is also named as Benzeneacetonitrile, 4-chloro-α-formyl-. The product's category is Aromatic Aldehydes & Derivatives (substituted).

Physical properties about 2-(4-Chlorophenyl)-2-cyanoacetaldehyde are: (1)ACD/LogP: 2.17; (2)#H bond acceptors: 2; (3)#Freely Rotating Bonds: 2; (4)Polar Surface Area: 40.86 Å²; (5)Index of Refraction: 1.552; (6)Molar Refractivity: 45.43 cm³; (7)Molar Volume: 142.1 cm³; (8)Polarizability: 18.01×10^-24cm³; (9)Surface Tension: 48.6 dyne/cm; (10)Density: 1.263 g/cm³; (11)Flash Point: 125.4 °C; (12)Enthalpy of Vaporization: 52.27 kJ/mol; (13)Boiling Point: 283.8 °C at 760 mmHg; (14)Vapour Pressure: 0.00309 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is harmful by inhalation, in contact with skin and if swallowed. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, this chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccc(cc1)C(C#N)C=O
(2)InChI: InChI=1/C9H6ClNO/c10-9-3-1-7(2-4-9)8(5-11)6-12/h1-4,6,8H
(3)InChIKey: DAEXXSXAEMFPHQ-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C9H6ClNO/c10-9-3-1-7(2-4-9)8(5-11)6-12/h1-4,6,8H
(5)Std. InChIKey: DAEXXSXAEMFPHQ-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	50mg/kg (50mg/kg)		National Technical Information Service. Vol. AD277-689,

Product Name

2-(4-Chlorophenyl)-2-cyanoacetaldehyde

2-(4-Chlorophenyl)-2-cyanoacetaldehyde Specification

Related Products

Hot Products