5-Bromo-2-methylbenzaldehyde supplier

Name
5-Bromo-2-methylbenzaldehyde
EINECS
CAS No. 90050-59-2
Article Data18
CAS DataBase
Density 1.49g/cm³
Solubility
Melting Point 45.0 to 49.0 °C
Formula C₈H₇BrO
Boiling Point 258.388 °C at 760 mmHg
Molecular Weight 199.047
Flash Point 93.207 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms o-Tolualdehyde,5-bromo- (7CI);5-Bromo-2-methylbenzaldehyde;
PSA 17.07000
LogP 2.57000

5-Bromo-2-methylbenzaldehyde Specification

The Benzaldehyde,5-bromo-2-methyl-, with CAS registry number 90050-59-2, belongs to the following product category: Miscellaneous. It has the systematic name of 5-Bromo-2-methylbenzaldehyde. And the chemical formula of this chemical is C₈H₇BrO.

Physical properties of Benzaldehyde,5-bromo-2-methyl-: (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)Polarizability: 18.046×10^-24cm³; (17)Surface Tension: 42.231 dyne/cm; (18)Enthalpy of Vaporization: 49.599 kJ/mol; (19)Vapour Pressure: 0.014 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1cc(C=O)c(cc1)C
(2)InChI: InChI=1/C8H7BrO/c1-6-2-3-8(9)4-7(6)5-10/h2-5H,1H3
(3)InChIKey: YILPAIKZHXATHY-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C8H7BrO/c1-6-2-3-8(9)4-7(6)5-10/h2-5H,1H3
(5)Std. InChIKey: YILPAIKZHXATHY-UHFFFAOYSA-N

Product Name

5-Bromo-2-methylbenzaldehyde

5-Bromo-2-methylbenzaldehyde Specification

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