tert-Butyl 2-bromopyridin-4-ylcarbamate supplier

Name
(2-BROMO-PYRIDIN-4-YL)CARBAMIC ACID TERT-BUTYL ESTER
EINECS
CAS No. 433711-95-6
Article Data7
CAS DataBase
Density 1.453 g/cm³
Solubility
Melting Point 886°C(lit.)
Formula C₁₀H₁₃BrN₂O₂
Boiling Point 299.3 °C at 760 mmHg
Molecular Weight 273.129
Flash Point 134.8 °C
Transport Information
Appearance white powder
Safety 24/25
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms 2-Bromo-4-(tert-Butoxycarbonylamino)pyridine;
PSA 51.22000
LogP 3.26410

tert-Butyl 2-bromopyridin-4-ylcarbamate Specification

The IUPAC name of this chemical is tert-butyl N-(2-bromopyridin-4-yl)carbamate. With the CAS registry number 433711-95-6, it is also named as carbamic acid, N-(2-bromo-4-pyridinyl)-, 1,1-dimethylethyl ester; 2-Bromo-4-boc pyridine. tert-Butyl 2-bromopyridin-4-ylcarbamate is white powder which should be avoided contact with skin and eyes.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 2.52; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.52; (4)ACD/LogD (pH 7.4): 2.52; (5)ACD/BCF (pH 5.5): 48.4; (6)ACD/BCF (pH 7.4): 48.41; (7)ACD/KOC (pH 5.5): 559.27; (8)ACD/KOC (pH 7.4): 559.37; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.573; (13)Molar Refractivity: 61.91 cm³; (14)Molar Volume: 187.8 cm³; (15)Polarizability: 24.54×10^-24 cm³; (16)Surface Tension: 46.2 dyne/cm; (17)Enthalpy of Vaporization: 53.93 kJ/mol; (18)Vapour Pressure: 0.0012 mmHg at 25°C; (19)Rotatable Bond Count: 3; (20)Tautomer Count: 3; (21)Exact Mass: 272.01604; (22)MonoIsotopic Mass: 272.01604; (23)Topological Polar Surface Area: 51.2; (24)Heavy Atom Count: 15; (25)Complexity: 228.

People can use the following data to convert to the molecule structure.
1. SMILES: Brc1nccc(NC(=O)OC(C)(C)C)c1;
2 InChI: InChI=1/C10H13BrN2O2/c1-10(2,3)15-9(14)13-7-4-5-12-8(11)6-7/h4-6H,1-3H3,(H,12,13,14).

Product Name

(2-BROMO-PYRIDIN-4-YL)CARBAMIC ACID TERT-BUTYL ESTER

tert-Butyl 2-bromopyridin-4-ylcarbamate Specification

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