4-Bromo-3-methylbenzaldehyde supplier

Name
4-BROMO-3-METHYL-BENZALDEHYDE
EINECS
CAS No. 78775-11-8
Article Data19
CAS DataBase
Density 1.49 g/cm³
Solubility
Melting Point 114-116ºC
Formula C₈H₇BrO
Boiling Point 262.166 °C at 760 mmHg
Molecular Weight 199.047
Flash Point 95.888 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-Bromo-3-methylbenzaldehyde;m-Tolualdehyde,4-bromo- (7CI);
PSA 17.07000
LogP 2.57000

4-Bromo-3-methylbenzaldehyde Specification

This product is an organic compound with the formula C₈H₇BrO. The systematic name of this chemical is 4-bromo-3-methylbenzaldehyde and the CAS registry number is 78775-11-8. In addition, the molecular weight is 199.04.

The other characteristics of 4-Bromo-3-methyl-benzaldehyde can be summarized as: (1)ACD/LogP: 3.04; (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): 119; (6)ACD/BCF (pH 7.4): 119; (7)ACD/KOC (pH 5.5): 1062; (8)ACD/KOC (pH 7.4): 1062; (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)Polarizability: 18.046×10^-24 cm³; (17)Surface Tension: 42.231 dyne/cm; (18)Density: 1.49 g/cm³; (19)Flash Point: 95.888 °C; (20)Enthalpy of Vaporization: 49.994 kJ/mol; (21)Boiling Point: 262.166 °C at 760 mmHg; (22)Vapour Pressure: 0.011 mmHg at 25°C.

People can use the following data to convert to the molecule structure.
1. SMILES:Cc1cc(C=O)ccc1Br
2. InChI:InChI=1/C8H7BrO/c1-6-4-7(5-10)2-3-8(6)9/h2-5H,1H3
3. InChIKey:YBXGUHGVNUFFJU-UHFFFAOYAH
4. Std. InChI:InChI=1S/C8H7BrO/c1-6-4-7(5-10)2-3-8(6)9/h2-5H,1H3
5. Std. InChIKey:YBXGUHGVNUFFJU-UHFFFAOYSA-N

Product Name

4-BROMO-3-METHYL-BENZALDEHYDE

4-Bromo-3-methylbenzaldehyde Specification

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