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4-Bromobenzaldehyde dimethyl acetal

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Name

4-Bromobenzaldehyde dimethyl acetal

EINECS N/A
CAS No. 24856-58-4 Density 1.372 g/cm3
PSA 18.46000 LogP 2.74050
Solubility Insoluble in water. Melting Point N/A
Formula C9H11BrO2 Boiling Point 239.7 °C at 760 mmHg
Molecular Weight 231.089 Flash Point 91.3 °C
Transport Information N/A Appearance N/A
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 24856-58-4 (4-Bromobenzaldehyde dimethyl acetal) Hazard Symbols IrritantXi
Synonyms

Benzaldehyde,p-bromo-, dimethyl acetal (8CI);1-Bromo-4-(dimethoxymethyl)benzene;4-Bromobenzaldehyde dimethyl acetal;p-Bromobenzaldehyde dimethyl acetal;

Article Data 45

4-Bromobenzaldehyde dimethyl acetal Specification

The Benzene, 1-bromo-4-(dimethoxymethyl)-, with the CAS registry number 24856-58-4, is also known as 4-Bromobenzaldehyde dimethyl acetal. It belongs to the product categories of Adehydes, Acetals & Ketones; Bromine Compounds; Acetals/Ketals/Ortho Esters; Organic Building Blocks; Oxygen Compounds. This chemical's molecular formula is C9H11BrO2 and molecular weight is 231.09. What's more, its systematic name is 1-Bromo-4-(dimethoxymethyl)benzene. In addition, it must be stored in airtight containers and placed in a dry, cool, ventilated place. Meanwhile, it should be kept away from oxidant. Besides. the containers must be opened carefully and placed vertically in case of leakage.

Physical properties about Benzene, 1-bromo-4-(dimethoxymethyl)- are: (1)ACD/LogP: 3.01; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 18.46 Å2; (7)Index of Refraction: 1.525; (8)Molar Refractivity: 51.61 cm3; (9)Molar Volume: 168.4 cm3; (10)Polarizability: 20.46×10-24 cm3; (11)Surface Tension: 35.8 dyne/cm; (12)Density: 1.372 g/cm3; (13)Flash Point: 91.3 °C; (14)Enthalpy of Vaporization: 45.72 kJ/mol; (15)Boiling Point: 239.7 °C at 760 mmHg; (16)Vapour Pressure: 0.0612 mmHg at 25 °C.

Preparation of Benzene, 1-bromo-4-(dimethoxymethyl)-: this chemical is prepared by reaction of 4-Bromo-benzaldehyde with Trimethoxymethane. This reaction needs catalyst Yb-Amberlyst XN-1010 and solvent CH2Cl2. The yield is about 100 %.

The Benzene, 1-bromo-4-(dimethoxymethyl)- can be obtained by 4-Bromo-benzaldehyde and Trimethoxymethane.

Uses of Benzene, 1-bromo-4-(dimethoxymethyl)-: it is used to produce other chemicals. For example, it is used to produce 1-Bromo-4-bromomethyl-benzene at ambient temperature. This reaction needs reagents Triethylsilane and AcBr. Meanwhile, it needs solvent CH2Cl2 and catalyst SnBr2. The reaction time is 7 hours. The yield is about 97 %.

Benzene, 1-bromo-4-(dimethoxymethyl)- can be used to produce 1-Bromo-4-bromomethyl-benzene.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. In addition, this chemical may cause inflammation to the skin or other mucous membranes. During using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: Brc1ccc(cc1)C(OC)OC
(2) InChI: InChI=1/C9H11BrO2/c1-11-9(12-2)7-3-5-8(10)6-4-7/h3-6,9H,1-2H3
(3) InChIKey: TWFNGPDYMFEHOB-UHFFFAOYAX

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