Carbamic acid,N-2-furanyl-, 1,1-dimethylethyl ester supplier

Name
TERT-BUTYL N-(2-FURYL)CARBAMATE
EINECS
CAS No. 56267-47-1
Article Data13
CAS DataBase
Density 1.136 g/cm³
Solubility
Melting Point 98 °C
Formula C₉H₁₃NO₃
Boiling Point 205.3 °C at 760 mmHg
Molecular Weight 183.207
Flash Point 78 °C
Transport Information
Appearance
Safety white to light yellow crystal powder
Risk Codes 24/25
Molecular Structure
Hazard Symbols Xi,T
Synonyms Carbamicacid, 2-furanyl-, 1,1-dimethylethyl ester (9CI);2-(Boc-amino)furan;2-(tert-Butoxycarbonylamino)furan;NSC 250629;tert-Butyl 2-furylcarbamate;tert-Butyl N-(2-furyl)carbamate;tert-butyl furan-2-ylcarbamate;carbamic acid, N-2-furanyl-, 1,1-dimethylethyl ester;Furan-3-yl-carbamic acid tert-butyl ester;tert-Butyl N-(2-furyl)carbamate;
PSA 51.47000
LogP 2.69960

Carbamic acid,N-2-furanyl-, 1,1-dimethylethyl ester Specification

The Carbamic acid,N-2-furanyl-, 1,1-dimethylethyl ester, with the CAS registry number 56267-47-1, has the systematic name of tert-butyl furan-2-ylcarbamate. It is a kind of white to light yellow crystal powder, and belongs to the product categories of N-BOC and Furan & Benzofuran. And the molecular formula of the chemical is C₉H₁₃NO₃. What's more, while dealing with this chemical, you should not try to avoid contacting with skin and eyes.

The characteristics of Carbamic acid,N-2-furanyl-, 1,1-dimethylethyl ester are as followings: (1)ACD/LogP: 2.16; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.16; (4)ACD/LogD (pH 7.4): 2.16; (5)ACD/BCF (pH 5.5): 25.71; (6)ACD/BCF (pH 7.4): 25.71; (7)ACD/KOC (pH 5.5): 355.64; (8)ACD/KOC (pH 7.4): 355.64; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 51.47 Å²; (13)Index of Refraction: 1.512; (14)Molar Refractivity: 48.43 cm³; (15)Molar Volume: 161.2 cm³; (16)Polarizability: 19.2×10^-24cm³; (17)Surface Tension: 37.5 dyne/cm; (18)Density: 1.136 g/cm³; (19)Flash Point: 78 °C; (20)Enthalpy of Vaporization: 44.16 kJ/mol; (21)Boiling Point: 205.3 °C at 760 mmHg; (22)Vapour Pressure: 0.251 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(OC(C)(C)C)Nc1occc1
(2)InChI: InChI=1/C9H13NO3/c1-9(2,3)13-8(11)10-7-5-4-6-12-7/h4-6H,1-3H3,(H,10,11)
(3)InChIKey: QUPYDDORIVFDHP-UHFFFAOYAM

Product Name

TERT-BUTYL N-(2-FURYL)CARBAMATE

Carbamic acid,N-2-furanyl-, 1,1-dimethylethyl ester Specification

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