-
Name
3-BROMO-4-METHYL BENZALDEHYDE
- EINECS
- CAS No. 36276-24-1
- Article Data12
- CAS DataBase
- Density 1.49g/cm3
- Solubility
- Melting Point 47-52℃
- Formula C8H7 Br O
- Boiling Point 256.9 ºC at 760 mmHg
- Molecular Weight 199.047
- Flash Point 92.2 ºC
- Transport Information
- Appearance
- Safety 26-36/37
- Risk Codes 22-36/37/38-43
-
Molecular Structure
- Hazard Symbols Xn
- Synonyms p-Tolualdehyde,3-bromo- (6CI,7CI);3-Bromo-4-methylbenzaldehyde;3-Bromo-p-tolualdehyde;
- PSA 17.07000
- LogP 2.57000
3-Bromo-4-methylbenzaldehyde Specification
The Benzaldehyde,3-bromo-4-methyl-, with its cas register number 36276-24-1, has its IUPAC name of 3-bromo-4-methyl Benzalehyde.
The characteristics of this chemical are as below: (1)ACD/LogP: 2.97 ; (2)#H bond acceptors: 1; (3)#Freely Rotating Bonds: 1; (4)Polar Surface Area: 17.07; (5)Index of Refraction: 1.597; (6)Molar Refractivity: 45.52 cm3; (7)Molar Volume: 133.5 cm3; (8)Polarizability: 18.04×10-24 cm3; (9)Surface Tension: 42.2 dyne/cm; (10)Density: 1.49 g/cm3; (11)Flash Point: 92.2 °C; (12)Enthalpy of Vaporization: 49.44 kJ/mol; (13)Boiling Point: 256.9 °C at 760 mmHg; (14)Vapour Pressure: 0.015 mmHg at 25°C.
Additionally, you could convert the following data information to obtain the molecular structure:
SMILES:Brc1cc(C=O)ccc1C
InChI:InChI=1/C8H7BrO/c1-6-2-3-7(5-10)4-8(6)9/h2-5H,1H3
InChIKey:WTXXUAHMTVAQHW-UHFFFAOYAC
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