CAS No.16315-59-6,4-DIMETHYLAMINOPHENYL ISOCYANATE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	16315-59-6
Name:	4-DIMETHYLAMINOPHENYL ISOCYANATE
Article Data:	13

Formula:	C₉H₁₀N₂O
Molecular Weight:	162.191
Synonyms:	Isocyanicacid, p-(dimethylamino)phenyl ester (6CI,8CI);(4-Isocyanatophenyl)dimethylamine;4-(Dimethylamino)-4-isocyanatobenzene;4-(Dimethylamino)phenyl isocyanate;4-(N,N-Dimethylamino)phenyl isocyanate;4-Dimethylamino-1-isocyanatobenzene;4-Isocyanato-N,N-dimethylaniline;4-Isocyanato-N,N-dimethylbenzenamine;4-N,N-Dimethyl-phenylisocyanate;p-Dimethylaminophenyl isocyanate;
Density:	1.01 g/cm³
Melting Point:	36-40 °C(lit.)
Boiling Point:	252.5 °C at 760 mmHg
Flash Point:	106.5 °C
Appearance:	Beige to brown crystalline low melting solid
Hazard Symbols:	Xn
Risk Codes:	20/21/22-36/37/38
Safety:	26-36
PSA:	32.67000
LogP:	1.71990

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Specification

The Benzenamine,4-isocyanato-N,N-dimethyl- is an organic compound with the formula C₉H₁₀N₂O. The IUPAC name of this chemical is 4-Isocyanato-N,N-dimethylaniline. With the CAS registry number 16315-59-6, it is also named as 4-Dimethlaminophenylisocyanate. The product's categories are Isocyanates; Nitrogen compounds; Organic building blocks. Besides, it is beige to brown crystalline low melting solid, which should be stored at 0 - 6°C.

Physical properties about Benzenamine,4-isocyanato-N,N-dimethyl- are: (1)ACD/LogP: 2.59; (2)ACD/LogD (pH 5.5): 2.56; (3)ACD/LogD (pH 7.4): 2.59; (4)ACD/BCF (pH 5.5): 51.33; (5)ACD/BCF (pH 7.4): 54.83; (6)ACD/KOC (pH 5.5): 572.31; (7)ACD/KOC (pH 7.4): 611.35; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 32.67 Å²; (11)Index of Refraction: 1.524; (12)Molar Refractivity: 48.96 cm³; (13)Molar Volume: 159.9 cm³; (14)Polarizability: 19.41×10^-24 cm³; (15)Surface Tension: 35.9 dyne/cm; (16)Density: 1.01 g/cm³; (17)Flash Point: 106.5 °C; (18)Enthalpy of Vaporization: 48.99 kJ/mol; (19)Boiling Point: 252.5 °C at 760 mmHg; (20)Vapour Pressure: 0.0193 mmHg at 25 °C.

Uses of Benzenamine,4-isocyanato-N,N-dimethyl-: it can be used to produce 2-(Hydroxymethyl)-11,11,12,12-tetracyanoantraquinodimethane p-(N,N-dimethylamino)phenylcarbamate at temperature of 20 - 45 °C. It will need reagent Dibutyltin dilaurate and solvent Acetonitrile with reaction time of 20 hours. The yield is about 51%.

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. Besides, this chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C9H10N2O/c1-11(2)9-5-3-8(4-6-9)10-7-12/h3-6H,1-2H3
(2)InChIKey: YZEHDFBYSOKBED-UHFFFAOYAG
(3)Std. InChI: InChI=1S/C9H10N2O/c1-11(2)9-5-3-8(4-6-9)10-7-12/h3-6H,1-2H3
(4)Std. InChIKey: YZEHDFBYSOKBED-UHFFFAOYSA-N