tert-Butyl N-[(5-bromo-2-thienyl)methyl]carbamate supplier

Name
TERT-BUTYL N-[(5-BROMO-2-THIENYL)METHYL]CARBAMATE
EINECS
CAS No. 215183-27-0
Article Data1
CAS DataBase
Density 1.416 g/cm³
Solubility
Melting Point 51 °C
Formula C₁₀H₁₄BrNO₂S
Boiling Point 371 °C at 760 mmHg
Molecular Weight 292.197
Flash Point 178.2 °C
Transport Information
Appearance
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;
PSA 66.57000
LogP 3.92620

tert-Butyl N-[(5-bromo-2-thienyl)methyl]carbamate Specification

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

Product Name

TERT-BUTYL N-[(5-BROMO-2-THIENYL)METHYL]CARBAMATE

tert-Butyl N-[(5-bromo-2-thienyl)methyl]carbamate Specification

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