tert-Butyl 2,5-dibromo-1H-pyrrole-1-carboxylate supplier

Name
1H-PYRROLE-1-CARBOXYLIC ACID, 2,5-DIBROMO-, 1,1-DIMETHYLETHYL ESTER
EINECS
CAS No. 117657-38-2
Density 1.69 g/cm³
Solubility
Melting Point
Formula C₉H₁₁Br₂NO₂
Boiling Point 327.6 °C at 760 mmHg
Molecular Weight 325
Flash Point 151.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1H-Pyrrole-1-carboxylic acid, 2, 5-dibromo-, 1, 1-dimethylethyl ester;
PSA 31.23000
LogP 3.79630

tert-Butyl 2,5-dibromo-1H-pyrrole-1-carboxylate Specification

The tert-Butyl 2, 5-dibromo-1H-pyrrole-1-carboxylate, with the CAS registry number of 117657-38-2, is also known as 1H-Pyrrole-1-carboxylic acid, 2, 5-dibromo-, 1, 1-dimethylethyl ester. This chemical's molecular formula is C₉H₁₁Br₂NO₂ and molecular weight is 324.9971. What's more, its systematic name is called tert-Butyl 2, 5-dibromo-1H-pyrrole-1-carboxylate.

Physical properties about tert-Butyl 2, 5-dibromo-1H-pyrrole-1-carboxylate are: (1)ACD/LogP: 3.92; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.92; (4)ACD/LogD (pH 7.4): 3.92; (5)ACD/BCF (pH 5.5): 559.34; (6)ACD/BCF (pH 7.4): 559.34; (7)ACD/KOC (pH 5.5): 3223.97; (8)ACD/KOC (pH 7.4): 3223.97; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 31.23 Å²; (13)Index of Refraction: 1.569; (14)Molar Refractivity: 62.75 cm³; (15)Molar Volume: 191.4 cm³; (16)Surface Tension: 41.3 dyne/cm; (17)Density: 1.69 g/cm³; (18)Flash Point: 151.9 °C; (19)Enthalpy of Vaporization: 56.99 kJ/mol; (20)Boiling Point: 327.6 °C at 760 mmHg; (21)Vapour Pressure: 0.000201 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: CC(C)(C)OC(=O)n1c(Br)ccc1Br
(2) InChI: InChI=1/C9H11Br2NO2/c1-9(2,3)14-8(13)12-6(10)4-5-7(12)11/h4-5H,1-3H3
(3) InChIKey: NTGSPDLQYRAXAK-UHFFFAOYAC

Product Name

1H-PYRROLE-1-CARBOXYLIC ACID, 2,5-DIBROMO-, 1,1-DIMETHYLETHYL ESTER

tert-Butyl 2,5-dibromo-1H-pyrrole-1-carboxylate Specification

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