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CAS No.: | 1515-88-4 |
---|---|
Name: | 4-BROMOBENZYL METHYL ETHER |
Article Data: | 22 |
Molecular Structure: | |
Formula: | C8H9BrO |
Molecular Weight: | 201.063 |
Synonyms: | 1-Bromo-4-(methoxymethyl)benzene;4-Bromobenzylmethyl ether;p-(Methoxymethyl)phenyl bromide;p-Bromobenzyl methyl ether;Ether,p-bromobenzyl methyl (7CI,8CI); |
Density: | 1.389 g/cm3 |
Melting Point: | -15 °C (lit.) |
Boiling Point: | 217.635 °C at 760 mmHg |
Flash Point: | 85.885 °C |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26 |
PSA: | 9.23000 |
LogP: | 2.59550 |
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The Benzene, 1-bromo-4-(methoxymethyl)-, with the CAS registry number 1515-88-4, is also known as 4-Bromobenzyl methyl ether. It belongs to the product categories of Anisoles, Alkyloxy Compounds & Phenylacetates; Bromine Compounds; Ethers; Organic Building Blocks; Oxygen Compounds. This chemical's molecular formula is C8H9BrO and molecular weight is 201.06046. What's more, its systematic name is 1-Bromo-4-(methoxymethyl)benzene.
Physical properties about Benzene, 1-bromo-4-(methoxymethyl)- are: (1)ACD/LogP: 2.71; (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): 70; (6)ACD/BCF (pH 7.4): 70; (7)ACD/KOC (pH 5.5): 727; (8)ACD/KOC (pH 7.4): 727; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.537; (14)Molar Refractivity: 45.237 cm3; (15)Molar Volume: 144.798 cm3; (16)Polarizability: 17.934×10-24 cm3; (17)Surface Tension: 35.738 dyne/cm; (18)Density: 1.389 g/cm3; (19)Flash Point: 85.885 °C; (20)Enthalpy of Vaporization: 43.552 kJ/mol; (21)Boiling Point: 217.635 °C at 760 mmHg; (22)Vapour Pressure: 0.193 mmHg at 25 °C.
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. 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(COC)cc1
(2) InChI: InChI=1/C8H9BrO/c1-10-6-7-2-4-8(9)5-3-7/h2-5H,6H2,1H3
(3) InChIKey: JIMMXGXOJQXOQA-UHFFFAOYAG