tert-Butyl (2-chloro-3-formylpyridin-4-yl)carbamate supplier

Name
N-[2-Chloro-3-formyl-4-pyridinyl]carbamic acid tert-butyl ester
EINECS
CAS No. 893423-62-6
Article Data9
CAS DataBase
Density 1.314 g/cm³
Solubility
Melting Point
Formula C₁₁H₁₃ClN₂O₃
Boiling Point 332.332 °C at 760 mmHg
Molecular Weight 256.689
Flash Point 154.789 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms carbamic acid, N-(2-chloro-3-formyl-4-pyridinyl)-, 1,1-dimethylethyl ester;
PSA 68.29000
LogP 2.96750

tert-Butyl (2-chloro-3-formylpyridin-4-yl)carbamate Specification

The tert-Butyl (2-chloro-3-formylpyridin-4-yl)carbamate, with the CAS registry number 893423-62-6, is also known as Carbamic acid, N-(2-chloro-3-formyl-4-pyridinyl)-, 1,1-dimethylethyl ester. This chemical's molecular formula is C₁₁H₁₃ClN₂O₃ and molecular weight is 257.00. What's more, its systematic name is called 2-Methyl-2-propanyl (2-chloro-3-formyl-4-pyridinyl)carbamate.

Physical properties about tert-Butyl (2-chloro-3-formylpyridin-4-yl)carbamate are: (1)ACD/LogP: 4.189; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.19; (4)ACD/LogD (pH 7.4): 4.19; (5)ACD/BCF (pH 5.5): 898.03; (6)ACD/BCF (pH 7.4): 897.93; (7)ACD/KOC (pH 5.5): 4524.43; (8)ACD/KOC (pH 7.4): 4523.96; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 68.29 Å²; (13)Index of Refraction: 1.59; (14)Molar Refractivity: 65.873 cm³; (15)Molar Volume: 195.287 cm³; (16)Polarizability: 26.114×10^-24cm³; (17)Surface Tension: 50.35 dyne/cm; (18)Density: 1.314 g/cm³; (19)Flash Point: 154.789 °C; (20)Enthalpy of Vaporization: 57.509 kJ/mol; (21)Boiling Point: 332.332 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: CC(C)(C)OC(=O)Nc1ccnc(c1C=O)Cl
(2) InChI: InChI=1S/C11H13ClN2O3/c1-11(2,3)17-10(16)14-8-4-5-13-9(12)7(8)6-15/h4-6H,1-3H3,(H,13,14,16)
(3) InChIKey: YNHFPXDHWTUUCL-UHFFFAOYSA-N

Product Name

N-[2-Chloro-3-formyl-4-pyridinyl]carbamic acid tert-butyl ester

tert-Butyl (2-chloro-3-formylpyridin-4-yl)carbamate Specification

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