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Cas Database |
| Name |
tert-Butyl (5-chloro-1,3-benzodioxol-4-yl)carbamate |
EINECS | N/A |
| CAS No. | 379229-84-2 | Density | 1.348 g/cm3 |
| PSA | 56.79000 | LogP | 3.48870 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C12H14ClNO4 | Boiling Point | 309.791 °C at 760 mmHg |
| Molecular Weight | 271.7 | Flash Point | 141.157 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
TERT-BUTYL (5-CHLORO-1,3-BENZODIOXOL-4-YL)CARBAMATE;tert-butyl 5-chlorobenzo[d][1,3]dioxol-4-ylcarbamate;CarbaMic acid, (5-chloro-1,3-benzodioxol-4-yl)-, 1,1-diMethylethyl ester (9CI);CarbaMic acid, (5-chloro-1,3-benzodioxol-4-yl)-, 1,1-diMethylethyl ester |
Article Data | 3 |
tert-Butyl (5-chloro-1,3-benzodioxol-4-yl)carbamate Specification
The tert-Butyl (5-chloro-1,3-benzodioxol-4-yl)carbamate is an organic compound with the formula C12H14ClNO4. With the CAS registry number 379229-84-2, the systematic name of this chemical is tert-butyl (5-chloro-1,3-benzodioxol-4-yl)carbamate.
Physical properties about tert-Butyl (5-chloro-1,3-benzodioxol-4-yl)carbamate are: (1)ACD/LogP: 3.27; (2)ACD/LogD (pH 5.5): 4; (3)ACD/LogD (pH 7.4): 4; (4)ACD/BCF (pH 5.5): 370; (5)ACD/BCF (pH 7.4): 370; (6)ACD/KOC (pH 5.5): 2400; (7)ACD/KOC (pH 7.4): 2400; (8)#H bond acceptors: 5; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 56.79 Å2; (12)Index of Refraction: 1.581; (13)Molar Refractivity: 67.191 cm3; (14)Molar Volume: 201.576 cm3; (15)Polarizability: 26.636×10-24cm3; (16)Surface Tension: 50.127 dyne/cm; (17)Density: 1.348 g/cm3; (18)Flash Point: 141.157 °C; (19)Enthalpy of Vaporization: 55.057 kJ/mol; (20)Boiling Point: 309.791 °C at 760 mmHg; (21)Vapour Pressure: 0.001 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)(C)OC(=O)Nc1c(Cl)ccc2OCOc12
(2)InChI: InChI=1/C12H14ClNO4/c1-12(2,3)18-11(15)14-9-7(13)4-5-8-10(9)17-6-16-8/h4-5H,6H2,1-3H3,(H,14,15)
(3)InChIKey: VGAUUGYGFROFEI-UHFFFAOYAJ ; (4)Std. InChI: InChI=1S/C12H14ClNO4/c1-12(2,3)18-11(15)14-9-7(13)4-5-8-10(9)17-6-16-8/h4-5H,6H2,1-3H3,(H,14,15)
(5)Std. InChIKey: VGAUUGYGFROFEI-UHFFFAOYSA-N
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