CAS No.18437-63-3,TERT-BUTYL 4-NITROPHENYLCARBAMATE Suppliers

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Molecular Structure:
CAS No.:	18437-63-3
Name:	TERT-BUTYL 4-NITROPHENYLCARBAMATE
Article Data:	52

Formula:	C₁₁H₁₄N₂O₄
Molecular Weight:	238.243
Synonyms:	Carbamic acid,(4-nitrophenyl)-, 1,1-dimethylethyl ester (9CI);Carbanilic acid, p-nitro-,tert-butyl ester (8CI);(4-Nitrophenyl)carbamic acid 1,1-dimethylethyl ester;4-Nitro-N-(tert-butoxycarbonyl)aniline;N-(tert-Butoxycarbonyl)-4-nitroaniline;tert-Butyl (4-nitrophenyl)carbamate;tert-Butyl N-(4-nitrophenyl)carbamate;tert-Butyl p-nitrophenylcarbamate;tert-Butyl p-nitrocarbanilate;
Density:	1.251 g/cm³
Boiling Point:	313.8 °C at 760 mmHg
Flash Point:	143.6 °C
PSA:	84.15000
LogP:	3.53800

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Specification

The CAS registry number of Carbamic acid,N-(4-nitrophenyl)-,1,1-dimethylethyl ester is 18437-63-3. The IUPAC name is tert-butyl N-(4-nitrophenyl)carbamate. And it is also called 4-Nitro-N-(tert-butoxycarbonyl)aniline. In addition, the molecular formula is C₁₁H₁₄N₂O₄ and the molecular weight is 238.24. It should be stored in a cool and dry place.

Physical properties about this chemical are: (1)ACD/LogP: 3.48; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.48; (4)ACD/LogD (pH 7.4): 3.48; (5)ACD/BCF (pH 5.5): 259.1; (6)ACD/BCF (pH 7.4): 259.1; (7)ACD/KOC (pH 5.5): 1858.52; (8)ACD/KOC (pH 7.4): 1858.51; (9)#H bond acceptors: 6; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 75.36 Å²; (13)Index of Refraction: 1.572; (14)Molar Refractivity: 62.67 cm³; (15)Molar Volume: 190.2 cm³; (16)Polarizability: 24.84 ×10^-24cm³; (17)Surface Tension: 47.9 dyne/cm; (18)Density: 1.251 g/cm³; (19)Flash Point: 143.6 °C; (20)Enthalpy of Vaporization: 55.49 kJ/mol; (21)Boiling Point: 313.8 °C at 760 mmHg; (22)Vapour Pressure: 0.000485 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1ccc(NC(=O)OC(C)(C)C)cc1
(2)InChI: InChI=1/C11H14N2O4/c1-11(2,3)17-10(14)12-8-4-6-9(7-5-8)13(15)16/h4-7H,1-3H3,(H,12,14)
(3)InChIKey: XZBFRRXPMQLVPL-UHFFFAOYAN