-
Name
tert-Butyl (5-chloro-1,3-benzodioxol-4-yl)carbamate
- EINECS
- CAS No. 379229-84-2
- Article Data3
- CAS DataBase
- Density 1.348 g/cm3
- Solubility
- Melting Point
- Formula C12H14ClNO4
- Boiling Point 309.791 °C at 760 mmHg
- Molecular Weight 271.7
- Flash Point 141.157 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- 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
- PSA 56.79000
- LogP 3.48870
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
Related Products
- tert-Butyl (1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetate
- tert-Butyl (3-methylazetidin-3-yl)methylcarbamate
- tert-Butyl (3S,4R)-4-(2-methoxyphenyl)pyrrolidin-3-ylcarbamate
- tert-Butyl (3S,4R)-4-phenylpyrrolidin-3-ylcarbamate
- tert-Butyl (4-aminophenyl)carbamate
- tert-Butyl (4-bromothiazol-2-yl)methylcarbamate
- tert-Butyl (4-chloropyridin-2-yl)carbamate
- tert-Butyl (4-fluoro-3-pyrrolidinyl)carbamate
- tert-Butyl (4-iodopyridin-2-yl)carbamate
- tert-Butyl (4-methylpiperidin-4-yl)carbamate
- 379231-04-6
- 379241-47-1
- 37924-67-7
- 37924-85-9
- 3792-50-5
- 379250-94-9
- 379255-22-8
- 37932-53-9
- 37933-88-3
- 37934-88-6
Hot Products
About|Contact|Cas|Product Name|Molecular|Country|Encyclopedia
Message|New Cas|MSDS|Service|Advertisement|CAS DataBase|Article Data|Manufacturers | Chemical Catalog
©2008 LookChem.com,License: ICP
NO.:Zhejiang16009103
complaints:service@lookchem.com Desktop View