tert-Butyl (4-chloropyridin-2-yl)carbamate supplier

Name
(4-CHLORO-PYRIDIN-2-YL)-CARBAMIC ACID TERT-BUTYL ESTER
EINECS
CAS No. 130721-78-7
Article Data23
CAS DataBase
Density 1.245 g/cm³
Solubility
Melting Point (dec)
Formula C₁₀H₁₃ClN₂O₂
Boiling Point 274.3 °C at 760 mmHg
Molecular Weight 228.678
Flash Point 119.7 °C
Transport Information
Appearance White to off-white powder
Safety 36/37
Risk Codes Xi:;
Molecular Structure
Hazard Symbols Xi
Synonyms 2-Boc-amino-4-chloropyridine;
PSA 51.22000
LogP 3.15500

tert-Butyl (4-chloropyridin-2-yl)carbamate Specification

The Carbamic acid,N-(4-chloro-2-pyridinyl)-, 1,1-dimethylethyl ester, with the CAS registry number of 130721-78-7, is also known as 2-Boc-amino-4-chloropyridine. It belongs to the product category of Pharmacetical. Its molecular formula is C₁₀H₁₃ClN₂O₂ and molecular weight is 228.68. What's more, its IUPAC name is tert-Butyl N-(4-chloropyridin-2-yl)carbamate.

Physical properties about the Carbamic acid,N-(4-chloro-2-pyridinyl)-, 1,1-dimethylethyl ester are: (1)ACD/LogP: 2.20; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.19; (4)ACD/LogD (pH 7.4): 2.2; (5)ACD/BCF (pH 5.5): 27.4; (6)ACD/BCF (pH 7.4): 27.48; (7)ACD/KOC (pH 5.5): 371.85; (8)ACD/KOC (pH 7.4): 372.94; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 42.43 Å²; (13)Index of Refraction: 1.557; (14)Molar Refractivity: 59.12 cm³; (15)Molar Volume: 183.6 cm³; (16)Surface Tension: 44.8 dyne/cm; (17)Density: 1.245 g/cm³; (18)Flash Point: 119.7 °C; (19)Enthalpy of Vaporization: 51.27 kJ/mol; (20)Boiling Point: 274.3 °C at 760 mmHg; (21)Vapour Pressure: 0.00545 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OC(C)(C)C)Nc1nccc(Cl)c1
(2) InChI: InChI=1/C10H13ClN2O2/c1-10(2,3)15-9(14)13-8-6-7(11)4-5-12-8/h4-6H,1-3H3,(H,12,13,14)
(3) InChIKey: ATOQLEMIFREXLS-UHFFFAOYAZ

Product Name

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

tert-Butyl (4-chloropyridin-2-yl)carbamate Specification

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