tert-Butyl (5-bromopyrimidin-2-yl)carbamate supplier

Name
tert-Butyl (5-bromopyrimidin-2-yl)carbamate
EINECS
CAS No. 883231-23-0
Article Data3
CAS DataBase
Density 1.513 g/cm³
Solubility
Melting Point
Formula C₉H₁₂BrN₃O₂
Boiling Point
Molecular Weight 274.12
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms carbamic acid, N-(5-bromo-2-pyrimidinyl)-, 1,1-dimethylethyl ester;(5-Bromo-pyrimidin-2-yl)-carbamic acid tert-butyl ester;
PSA 67.60000
LogP 2.59970

tert-Butyl (5-bromopyrimidin-2-yl)carbamate Specification

The CAS register number of tert-Butyl (5-bromopyrimidin-2-yl)carbamate is 883231-23-0. It also can be called as carbamic acid, N-(5-bromo-2-pyrimidinyl)-, 1,1-dimethylethyl ester and the IUPAC name about this chemical is tert-butyl N-(5-bromopyrimidin-2-yl)carbamate. The molecular formula about this chemical is C₉H₁₂BrN₃O₂and molecular weight is 274.12.

Physical properties about tert-Butyl (5-bromopyrimidin-2-yl)carbamate are: (1)ACD/LogP: 1.59; (2)ACD/LogD (pH 5.5): 1.59; (3)ACD/LogD (pH 7.4): 1.59; (4)ACD/BCF (pH 5.5): 9.48; (5)ACD/BCF (pH 7.4): 9.48; (6)ACD/KOC (pH 5.5): 174.13; (7)ACD/KOC (pH 7.4): 174.05; (8)#H bond acceptors: 5; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 64.11Å²; (12)Index of Refraction: 1.576; (13)Molar Refractivity: 60 cm³; (14)Molar Volume: 181 cm³; (15)Polarizability: 23.78x10^-24cm³; (16)Surface Tension: 51 dyne/cm.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)(C)OC(=O)Nc1ncc(Br)cn1
(2)InChI: InChI=1/C9H12BrN3O2/c1-9(2,3)15-8(14)13-7-11-4-6(10)5-12-7/h4-5H,1-3H3,(H,11,12,13,14)
(3)InChIKey: MQQCCIJHZDEZBW-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C9H12BrN3O2/c1-9(2,3)15-8(14)13-7-11-4-6(10)5-12-7/h4-5H,1-3H3,(H,11,12,13,14)
(5)Std. InChIKey: MQQCCIJHZDEZBW-UHFFFAOYSA-N

Product Name

tert-Butyl (5-bromopyrimidin-2-yl)carbamate

tert-Butyl (5-bromopyrimidin-2-yl)carbamate Specification

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