3-Bromo-5-methylbenzaldehyde supplier

Name
3-bromo-5-methylbenzaldehyde
EINECS
CAS No. 188813-04-9
Article Data8
CAS DataBase
Density 1.49 g/cm³
Solubility
Melting Point
Formula C₈H₇BrO
Boiling Point 255.59 °C at 760 mmHg
Molecular Weight 199.0446
Flash Point 91.22 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms LogP
PSA 17.07000
LogP 2.57000

3-Bromo-5-methylbenzaldehyde Specification

The CAS registry number of 3-Bromo-5-methylbenzaldehyd is 188813-04-9. This chemical's molecular formula is C₈H₇BrO and molecular weight is 199.0446. What's more, its systematic name is called 3-Bromo-5-methylbenzaldehyde.

Physical properties about 3-Bromo-5-methylbenzaldehyde are: (1) ACD/LogP: 3.51; (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): 107; (6) ACD/BCF (pH 7.4): 107; (7) ACD/KOC (pH 5.5): 988; (8) ACD/KOC (pH 7.4): 988; (9) #H bond acceptors: 1; (10) #H bond donors: 0; (11) #Freely Rotating Bonds: 1; (12) Polar Surface Area: 17.07 Å²; (13) Index of Refraction: 1.597; (14) Molar Refractivity: 45.521 cm³; (15) Molar Volume: 133.559 cm³; (16) Surface Tension: 42.231 dyne/cm; (17) Density: 1.49 g/cm³; (18) Flash Point: 91.22 °C; (19) Enthalpy of Vaporization: 49.307 kJ/mol; (20) Boiling Point: 255.59 °C at 760 mmHg; (21) Vapour Pressure: 0.016 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Cc1cc(C=O)cc(Br)c1
(2) InChI: InChI=1/C8H7BrO/c1-6-2-7(5-10)4-8(9)3-6/h2-5H,1H3
(3) InChIKey: DMSLPBFUZSQMQT-UHFFFAOYAK

Product Name

3-bromo-5-methylbenzaldehyde

3-Bromo-5-methylbenzaldehyde Specification

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