Ethyl 4-bromo-1H-pyrrole-2-carboxylate supplier

Name
Ethyl 4-bromo-1H-pyrrole-2-carboxylate
EINECS
CAS No. 433267-55-1
Article Data7
CAS DataBase
Density 1.576 g/cm³
Solubility
Melting Point 58-63°C
Formula C₇H₈BrNO₂
Boiling Point 301.7 °C at 760 mmHg
Molecular Weight 218.05
Flash Point 136.3 °C
Transport Information
Appearance
Safety 26-36/37
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms 1H-Pyrrole-2-carboxylic acid, 4-bromo-, ethyl ester;
PSA 42.09000
LogP 1.95390

Ethyl 4-bromo-1H-pyrrole-2-carboxylate Specification

The Ethyl 4-bromo-1H-pyrrole-2-carboxylate, with the CAS registry number 433267-55-1, is also known as 1H-Pyrrole-2-carboxylic acid, 4-bromo-, ethyl ester. This chemical's molecular formula is C₇H₈BrNO₂ and molecular weight is 218.05. What's more, its systematic name is Ethyl 4-bromo-1H-pyrrole-2-carboxylate.

Physical properties about Ethyl 4-bromo-1H-pyrrole-2-carboxylate are: (1)ACD/LogP: 2.41; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.41; (4)ACD/LogD (pH 7.4): 2.41; (5)ACD/BCF (pH 5.5): 39.98; (6)ACD/BCF (pH 7.4): 39.98; (7)ACD/KOC (pH 5.5): 487.8; (8)ACD/KOC (pH 7.4): 487.8; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 31.23 Å²; (13)Index of Refraction: 1.56; (14)Molar Refractivity: 44.78 cm³; (15)Molar Volume: 138.3 cm³; (16)Polarizability: 17.75×10^-24 cm³; (17)Surface Tension: 46.8 dyne/cm; (18)Density: 1.576 g/cm³; (19)Flash Point: 136.3 °C; (20)Enthalpy of Vaporization: 54.19 kJ/mol; (21)Boiling Point: 301.7 °C at 760 mmHg; (22)Vapour Pressure: 0.00103 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OCC)c1cc(Br)cn1
(2) InChI: InChI=1/C7H8BrNO2/c1-2-11-7(10)6-3-5(8)4-9-6/h3-4,9H,2H2,1H3
(3) InChIKey: ZNKYCJKUHXQUJQ-UHFFFAOYAB

Product Name

Ethyl 4-bromo-1H-pyrrole-2-carboxylate

Ethyl 4-bromo-1H-pyrrole-2-carboxylate Specification

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