2-Thiophenecarboxaldehyde,5-bromo-4-methyl- supplier

Name
2-BROMO-3-METHYL-5-FORMYLTHIOPHENE
EINECS 604-604-1
CAS No. 189331-47-3
Article Data14
CAS DataBase
Density 1.667 g/cm³
Solubility
Melting Point
Formula C₆H₅BrOS
Boiling Point 264.996 °C at 760 mmHg
Molecular Weight 205.075
Flash Point 114.066 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms 2-Bromo-3-methyl-5-formylthiophene;5-Bromo-4-methyl-2-thiophenecarboxaldehyde;
PSA 45.31000
LogP 2.63150

2-Thiophenecarboxaldehyde,5-bromo-4-methyl- Specification

The 2-Thiophenecarboxaldehyde,5-bromo-4-methyl-, with the CAS registry number 189331-47-3, is also known as 5-Bromo-4-methyl-2-thiophenecarboxaldehyde. It belongs to the product categories of Building Blocks; Thiophene. This chemical's molecular formula is C₆H₅BrOS and molecular weight is 205.07. What's more, both its IUPAC name and systematic name are the same which is called 5-Bromo-4-methylthiophene-2-carbaldehyde. When you are dealing with this chemical, you should be very careful. This chemical may cause inflammation to the skin or other mucous membranes.

Physical properties about 2-Thiophenecarboxaldehyde,5-bromo-4-methyl- are: (1) ACD/LogP: 3.12; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 3; (4) ACD/LogD (pH 7.4): 3; (5) ACD/BCF (pH 5.5): 139; (6) ACD/BCF (pH 7.4): 139; (7) ACD/KOC (pH 5.5): 1190; (8) ACD/KOC (pH 7.4): 1190; (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) Surface Tension: 47.867 dyne/cm; (17) Density: 1.667 g/cm³; (18)Flash Point: 114.066 °C; (19) Enthalpy of Vaporization: 50.29 kJ/mol; (20) Boiling Point: 264.996 °C at 760 mmHg; (21) Vapour Pressure: 0.009 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Cc1cc(sc1Br)C=O
(2) InChI: InChI=1/C6H5BrOS/c1-4-2-5(3-8)9-6(4)7/h2-3H,1H3
(3) InChIKey: FATNNNCLTSHUQL-UHFFFAOYAA

Product Name

2-BROMO-3-METHYL-5-FORMYLTHIOPHENE

2-Thiophenecarboxaldehyde,5-bromo-4-methyl- Specification

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