-
Name
4-Bromo-5-methyl-2-thiophenecarbaldehyde
- EINECS
- CAS No. 29421-75-8
- Article Data28
- CAS DataBase
- Density 1.667 g/cm3
- Solubility
- Melting Point
- Formula C6H5BrOS
- Boiling Point 266.767 °C at 760 mmHg
- Molecular Weight 205.075
- Flash Point 115.137 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms 4-Bromo-5-methylthiophene-2-carboxaldehyde;4-bromo-5-methylthiophene-2-carbaldehyde;2-thiophenecarboxaldehyde, 4-bromo-5-methyl-;4-bromo-5-methyl-2-thiophenecarbaldehyde;
- PSA 45.31000
- LogP 2.63150
2-Thiophenecarboxaldehyde,4-bromo-5-methyl- Specification
The 2-Thiophenecarboxaldehyde,4-bromo-5-methyl-, with the CAS registry number 29421-75-8, has the systematic name of 4-bromo-5-methylthiophene-2-carbaldehyde. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C6H5BrOS.
The characteristics of 2-Thiophenecarboxaldehyde,4-bromo-5-methyl- are as followings: (1)ACD/LogP: 2.44; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 42; (6)ACD/BCF (pH 7.4): 42; (7)ACD/KOC (pH 5.5): 505; (8)ACD/KOC (pH 7.4): 505; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 45.31 Å2; (13)Index of Refraction: 1.632; (14)Molar Refractivity: 43.905 cm3; (15)Molar Volume: 123.039 cm3; (16)Polarizability: 17.405×10-24cm3; (17)Surface Tension: 47.867 dyne/cm; (18)Density: 1.667 g/cm3; (19)Flash Point: 115.137 °C; (20)Enthalpy of Vaporization: 50.476 kJ/mol; (21)Boiling Point: 266.767 °C at 760 mmHg; (22)Vapour Pressure: 0.008 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Cc1c(cc(s1)C=O)Br
(2)InChI: InChI=1/C6H5BrOS/c1-4-6(7)2-5(3-8)9-4/h2-3H,1H3
(3)InChIKey: NXBRLTKLAXZRPO-UHFFFAOYAO
Related Products
- 2-Thiophenecarboxaldehyde, 4-methyl-
- 2-Thiophenecarboxaldehyde,4,5-dimethyl-
- 2-Thiophenecarboxaldehyde,4-bromo-5-methyl-
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- 2-Thiophenecarboxaldehyde,5-(1-piperidinyl)-
- 2-Thiophenecarboxaldehyde,5-(2-furanyl)-
- 2-Thiophenecarboxaldehyde,5-(2-phenylethynyl)-
- 2-Thiophenecarboxaldehyde,5-(4-morpholinyl)-
- 2-Thiophenecarboxaldehyde,5-acetyl-
- 2-Thiophenecarboxaldehyde,5-bromo-4-methyl-
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