tert-Butyl 2-formyl-1H-pyrrole-1-carboxylate supplier

Name
tert-Butyl 2-formyl-1H-pyrrole-1-carboxylate
EINECS
CAS No. 161282-57-1
Article Data23
CAS DataBase
Density 1.08 g/cm³
Solubility
Melting Point 50-52 °C
Formula C₁₀H₁₃NO₃
Boiling Point 291.8 °C at 760 mmHg
Molecular Weight 195.218
Flash Point 130.3 °C
Transport Information
Appearance
Safety 26
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms 2-Formyl-1H-Pyrrole-1-carboxylicacid 1,1-dimethylethyl ester;2-Formylpyrrole-1-carboxylic acid tert-butylester;N-(1,1-Dimethylethoxycarbonyl)pyrrole-2-carboxaldehyde;N-Boc-pyrrole-2-carboxaldehyde;N-Butoxycarbonyl-1H-pyrrole-2-carboxaldehyde;
PSA 48.30000
LogP 2.08380

tert-Butyl 2-formyl-1H-pyrrole-1-carboxylate Specification

The tert-Butyl 2-formyl-1H-pyrrole-1-carboxylate ,its cas register number is 161282-57-1.It also can be called as 2-Formylpyrrole-1-carboxylic acid tert-butyl ester and N-(1,1-Dimethylethoxycarbonyl)pyrrole-2-carboxaldehyde, the Systematic name about this chemicals is Tert-butyl 2-formyl-1H-pyrrole-1-carboxylate .

Following are the chemical properties about tert-Butyl 2-formyl-1H-pyrrole-1-carboxylate :(1)#H bond acceptors: 4 ; (2)#H bond donors: 0 ; (3)#Freely Rotating Bonds: 3 ; (4)Polar Surface Area: 48.3Å² ; (5)Index of Refraction: 1.502 ; (6)Molar Refractivity: 53.1 cm³ ; (7)Molar Volume: 179.6 cm³ ; (8)Surface Tension: 36.8 dyne/cm ; (9)Enthalpy of Vaporization: 53.13 kJ/mol ; (10)Vapour Pressure: 0.0019 mmHg at 25°C

This chemicals can be described computed from structure:
(1)SMILES: O=C(OC(C)(C)C)n1c(ccc1)C=O
(2)InChI: InChI=1/C10H13NO3/c1-10(2,3)14-9(13)11-6-4-5-8(11)7-12/h4-7H,1-3H3
(3)InChIKey: NSHLHMBABZKJHP-UHFFFAOYAZ

Product Name

tert-Butyl 2-formyl-1H-pyrrole-1-carboxylate

tert-Butyl 2-formyl-1H-pyrrole-1-carboxylate Specification

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