CAS No.3422-01-3,N-BOC ANILINE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	3422-01-3
Name:	N-BOC ANILINE
Article Data:	203

Formula:	C₁₁H₁₅NO₂
Molecular Weight:	193.246
Synonyms:	tert-Butyl phenylcarbamate;Carbamic acid,phenyl,tert.-butyl ester;tert-Butyl N-phenylcarbamate;Carbamic acid,phenyl-,1,1-dimethylethyl ester;Carbanilic acid tert-butyl ester;N-BOC-aniline;tert-Butyl Carbanilate;
Density:	1.082 g/cm³
Melting Point:	133-137 °C
Boiling Point:	235.3 °C at 760 mmHg
Flash Point:	96.1 °C
PSA:	38.33000
LogP:	3.10660

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Specification

The Carbamic acid,N-phenyl-,1,1-dimethylethyl ester, with the CAS registry number of 3422-01-3, is also known as Carbamic acid,phenyl,tert.-butyl ester. It belongs to the product category of N-BOC. The molecular formula of this chemical is C₁₁H₁₅NO₂ and its molecular weight is 193.24. What's more, its IUPAC name is tert-Butyl N-phenylcarbamate. In addition, it must be stored in airtight containers and placed in a dry, cool place.

Physical properties about Carbamic acid,N-phenyl-,1,1-dimethylethyl ester are: (1)ACD/LogP: 3.00; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 111.59; (6)ACD/BCF (pH 7.4): 111.59; (7)ACD/KOC (pH 5.5): 1016.97; (8)ACD/KOC (pH 7.4): 1016.98; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 29.54 Å²; (13)Index of Refraction: 1.541; (14)Molar Refractivity: 56.13 cm³; (15)Molar Volume: 178.4 cm³; (16)Polarizability: 22.25×10^-24 cm³; (17)Surface Tension: 38.7 dyne/cm; (18)Density: 1.082 g/cm³; (19)Flash Point: 96.1 °C; (20)Enthalpy of Vaporization: 47.21 kJ/mol; (21)Boiling Point: 235.3 °C at 760 mmHg; (22)Vapour Pressure: 0.0505 mmHg at 25 °C.

Preparation of Carbamic acid,N-phenyl-,1,1-dimethylethyl ester: this chemical is prepared by reaction of Isocyanatobenzene with 2-Methyl-propan-2-ol. The reaction needs solvent Diethyl ether.

The Carbamic acid,N-phenyl-,1,1-dimethylethyl ester can be obtained by Isocyanatobenzene and 2-Methyl-propan-2-ol.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OC(C)(C)C)Nc1ccccc1
(2) InChI: InChI=1/C11H15NO2/c1-11(2,3)14-10(13)12-9-7-5-4-6-8-9/h4-8H,1-3H3,(H,12,13)
(3) InChIKey: KZZHPWMVEVZEFG-UHFFFAOYAL