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184698-65-5

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Basic Information
CAS No.: 184698-65-5
Name: 1-[4-(BROMOMETHYL)PHENYL]-1H-PYRROLE
Article Data: 2
Molecular Structure:
Molecular Structure of 184698-65-5 (1-[4-(BROMOMETHYL)PHENYL]-1H-PYRROLE)
Formula: C11H10BrN
Molecular Weight: 236.111
Synonyms: 1-[4-(BROMOMETHYL)PHENYL]-1H-PYRROLE
Density: 1.34 g/cm3
Melting Point: 150°C
Boiling Point: 313 °C at 760 mmHg
Flash Point: 143.1 °C
Hazard Symbols: R34:Causes burns.;
Risk Codes: 34
Safety: 26-36/37/39-45
PSA: 4.93000
LogP: 3.37220
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    1-[4-(BROMOMETHYL)PHENYL]-1H-PYRROLE CAS No.: 184698-65-5 Molecular formula: C11H10BrN Molecular weight: 236.11 1-[4-(bromomethyl)phenyl]-1H-pyrrole Melting point 150°C Boiling point 0°C Flash point 0°C 1-[4-(Bromome

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Specification

The CAS registry number of 1H-Pyrrole,1-[4-(bromomethyl)phenyl]- is 184698-65-5. This chemical's molecular formula is C11H10BrN and molecular weight is 236.1078. What's more, its systematic name is called 1-[4-(Bromomethyl)phenyl]-1H-pyrrole.

Physical properties about 1H-Pyrrole,1-[4-(bromomethyl)phenyl]- are: (1)ACD/LogP: 3.78; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.78; (4)ACD/LogD (pH 7.4): 3.78; (5)ACD/BCF (pH 5.5): 439.91; (6)ACD/BCF (pH 7.4): 439.91; (7)ACD/KOC (pH 5.5): 2714.7; (8)ACD/KOC (pH 7.4): 2714.7; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 4.93 Å2; (13)Index of Refraction: 1.593; (14)Molar Refractivity: 59.65 cm3; (15)Molar Volume: 175.9 cm3; (16)Polarizability: 23.64×10-24 cm3; (17)Surface Tension: 41.7 dyne/cm; (18)Density: 1.34 g/cm3; (19)Flash Point: 143.1 °C; (20)Enthalpy of Vaporization: 53.2 kJ/mol; (21)Boiling Point: 313 °C at 760 mmHg; (22)Vapour Pressure: 0.000937 mmHg at 25 °C; (23)Melting Point: 150 °C.

When you are dealing with this chemical, you should be very careful. This chemical will causes burning. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. In case of accident (such as contacting with eyes) or if you feel unwell, you should rinse immediately with plenty of water and seek medical advice (show the label where possible).

You can still convert the following datas into molecular structure:
(1) SMILES: BrCc1ccc(cc1)n2cccc2
(2) InChI: InChI=1/C11H10BrN/c12-9-10-3-5-11(6-4-10)13-7-1-2-8-13/h1-8H,9H2
(3) InChIKey: ADVNJHFDDUGRHL-UHFFFAOYAY