CAS No.2873-90-7,4-DIETHYLAMINOBENZONITRILE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	2873-90-7
Name:	4-DIETHYLAMINOBENZONITRILE
Article Data:	8

Formula:	C₁₁H₁₄N₂
Molecular Weight:	174.246
Synonyms:	Benzonitrile,p-(diethylamino)- (7CI,8CI);4-(Diethylamino)benzenecarbonitrile;4-(Diethylamino)benzenenitrile;4-(Diethylamino)benzonitrile;4-(N,N-Diethylamino)benzonitrile;N,N-Diethyl-p-cyanoaniline;NSC 32450;p-(Diethylamino)benzonitrile;p-Cyano-N,N-diethylaniline;
EINECS:	220-712-7
Density:	1.01 g/cm³
Melting Point:	66-67 °C
Boiling Point:	341.8 °C at 760 mmHg
Flash Point:	151.4 °C
Hazard Symbols:	R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.;
Risk Codes:	20/21/22
Safety:	22-36/37
PSA:	27.03000
LogP:	2.40448

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Specification

The Benzonitrile,4-(diethylamino)- is an organic compound with the molecular formula C₁₁H₁₄N₂. Its CAS registry number is 2873-90-7. The IUPAC name of this chemical is called 4-(Diethylamino)benzonitrile. Its EINECS registry number is 220-712-7. What's more, the molecular weight of this chemical is 174.24.

Physical properties about Benzonitrile,4-(diethylamino)- this chemical are: (1)ACD/LogP: 3.27; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.26; (4)ACD/LogD (pH 7.4): 3.27; (5)ACD/BCF (pH 5.5): 178.11; (6)ACD/BCF (pH 7.4): 178.95; (7)ACD/KOC (pH 5.5): 1419.23; (8)ACD/KOC (pH 7.4): 1425.96; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 27.03 Å²; (13)Index of Refraction: 1.536; (14)Molar Refractivity: 53.71 cm³; (15)Molar Volume: 172.2 cm³; (16)Polarizability: 21.29×10^-24 cm³; (17)Surface Tension: 41.7 dyne/cm; (18)Density: 1.01 g/cm³; (19)Flash Point: 151.4 °C; (20)Enthalpy of Vaporization: 58.55 kJ/mol; (21)Boiling Point: 341.8 °C at 760 mmHg; (22)Vapour Pressure: 7.85E-05 mmHg at 25 °C.

Uses of Benzonitrile,4-(diethylamino)-: it can be used to produce other chemicals. For example, it is used to produce 4-diethylamino-N-[(2-oxo-2H-chromen-3-yl)-phenyl-methyl]-benzamide with 2-oxo-3-(1-propionyloxybenzyl)-2H-1-benzopyran. The reaction occurs with reagents glacial acetic acid and conc. H₂SO₄ at ambient temperature for 4 hours. The yield is 94 %. The reaction equation is as followed:

Benzonitrile,4-(diethylamino)- can be used to produce 4-diethylamino-N-[(2-oxo-2H-chromen-3-yl)-phenyl-methyl]-benzamide with 2-oxo-3-(1-propionyloxybenzyl)-2H-1-benzopyran.

When you are dealing with this chemical, you should be very careful. This chemical is harmful by inhalation, in contact with skin and if swallowed. In addition, you should not breathe dust and wear suitable protective clothing and gloves. What's more, it should be stored in a cool, dry and sealing place.

You can still convert the following datas into molecular structure:
(1) SMILES: N#Cc1ccc(N(CC)CC)cc1
(2) InChI: InChI=1/C11H14N2/c1-3-13(4-2)11-7-5-10(9-12)6-8-11/h5-8H,3-4H2,1-2H3
(3) InChIKey: KMLGFOAKCYHXCQ-UHFFFAOYAJ