Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
tert-Butyl N-[(5-bromo-2-thienyl)methyl]carbamate |
EINECS | N/A |
CAS No. | 215183-27-0 | Density | 1.416 g/cm3 |
PSA | 66.57000 | LogP | 3.92620 |
Solubility | N/A | Melting Point |
51 °C |
Formula | C10H14BrNO2S | Boiling Point | 371 °C at 760 mmHg |
Molecular Weight | 292.197 | Flash Point | 178.2 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes |
Xi:Irritant; |
|
Molecular Structure | Hazard Symbols | R36/37/38:Irritating to eyes, respiratory system and skin.; | |
Synonyms |
Carbamicacid, [(5-bromo-2-thienyl)methyl]-, 1,1-dimethylethyl ester (9CI);tert-Butyl N-[(5-bromo-2-thienyl)methyl]carbamate; |
Article Data | 1 |
The CAS register number of tert-Butyl N-[(5-bromo-2-thienyl)methyl]carbamate is 215183-27-0. It also can be called as Carbamic acid,N-[(5-bromo-2-thienyl)methyl]-, 1,1-dimethylethyl ester and the systematic name about this chemical is tert-butyl [(5-bromothiophen-2-yl)methyl]carbamate. The molecular formula about this chemical is C10H14BrNO2S and the molecular weight is 292.19.
Physical properties about tert-Butyl N-[(5-bromo-2-thienyl)methyl]carbamate are: (1)ACD/LogP: 3.42; (2)ACD/LogD (pH 5.5): 3.42; (3)ACD/LogD (pH 7.4): 3.42; (4)ACD/BCF (pH 5.5): 234.74; (5)ACD/BCF (pH 7.4): 234.73; (6)ACD/KOC (pH 5.5): 1731.68; (7)ACD/KOC (pH 7.4): 1731.62; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 57.78Å2; (12)Index of Refraction: 1.55; (13)Molar Refractivity: 65.74 cm3; (14)Molar Volume: 206.2 cm3; (15)Polarizability: 26.06x10-24cm3; (16)Surface Tension: 41.7 dyne/cm; (17)Enthalpy of Vaporization: 61.8 kJ/mol; (18)Boiling Point: 371 °C at 760 mmHg; (19)Vapour Pressure: 1.06E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc1sc(cc1)CNC(=O)OC(C)(C)C
(2)InChI: InChI=1/C10H14BrNO2S/c1-10(2,3)14-9(13)12-6-7-4-5-8(11)15-7/h4-5H,6H2,1-3H3,(H,12,13)
(3)InChIKey: CVNITIPQHIGCKI-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C10H14BrNO2S/c1-10(2,3)14-9(13)12-6-7-4-5-8(11)15-7/h4-5H,6H2,1-3H3,(H,12,13)
(5)Std. InChIKey: CVNITIPQHIGCKI-UHFFFAOYSA-N