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4-Isopropylbenzyl bromide

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Name

4-Isopropylbenzyl bromide

EINECS N/A
CAS No. 73789-86-3 Density 1.261 g/cm3
PSA 0.00000 LogP 3.70490
Solubility N/A Melting Point N/A
Formula C10H13Br Boiling Point 240.6 °C at 760 mmHg
Molecular Weight 213.117 Flash Point 101.4 °C
Transport Information UN 1760 Appearance N/A
Safety 23-26-36/37/39-45 Risk Codes 34
Molecular Structure Molecular Structure of 73789-86-3 (4-ISOPROPYL BENZYL BROMIDE  97) Hazard Symbols CorrosiveC
Synonyms

p-Cymene,7-bromo- (6CI,7CI);1-Bromomethyl-4-isopropylbenzene;4-Isopropylbenzylbromide;7-Bromo-p-cymene;p-(Bromomethyl)isopropylbenzene;p-Isopropylbenzylbromide;

Article Data 6

4-Isopropylbenzyl bromide Specification

The IUPAC name of 4-Isopropylbenzyl bromide is 1-(Bromomethyl)-4-propan-2-ylbenzene. With the CAS registry number 73789-86-3, it is also named as Benzene,1-(bromomethyl)-4-(1-methylethyl)-. The product's categories are aryl, c9 to c12, halogenated hydrocarbons, c9 to c12, halogenated hydrocarbons. In addition, its molecular formula is C10H13Br and its molecular weight is 213.11. 

The other characteristics of 4-Isopropylbenzyl bromide can be summarized as: (1)ACD/LogP: 4.26; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.26; (4)ACD/LogD (pH 7.4): 4.26; (5)ACD/BCF (pH 5.5): 1013.82; (6)ACD/BCF (pH 7.4): 1013.82; (7)ACD/KOC (pH 5.5): 4934.77; (8)ACD/KOC (pH 7.4): 4934.77; (9)H bond acceptors: 0; (10)H bond donors: 0; (11)Freely Rotating Bonds: 2; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.54; (14)Molar Refractivity: 53.08 cm3; (15)Molar Volume: 168.9 cm3; (16)Polarizability: 21.04×10-24cm3; (17)Surface Tension: 35 dyne/cm; (18)Density: 1.261 g/cm3; (19)Flash Point: 101.4 °C; (20)Enthalpy of Vaporization: 45.82 kJ/mol; (21)Boiling Point: 240.6 °C at 760 mmHg; (22)Vapour Pressure: 0.0582 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following: 4-Isopropylbenzyl bromide may cause burns. Please wear suitable protective clothing, gloves and eye/face protection and do not breathe vapour. Moreover, in case of contact with eyes, please rinse immediately with plenty of water and seek medical advice. And in case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)

People can use the following data to convert to the molecule structure.
(1)SMILES:BrCc1ccc(cc1)C(C)C
(2)InChI:InChI=1/C10H13Br/c1-8(2)10-5-3-9(7-11)4-6-10/h3-6,8H,7H2,1-2H3
(3)InChIKey:YXTHBZLABLYGEE-UHFFFAOYAF
(4)Std. InChI:InChI=1S/C10H13Br/c1-8(2)10-5-3-9(7-11)4-6-10/h3-6,8H,7H2,1-2H3
(5)Std. InChIKey:YXTHBZLABLYGEE-UHFFFAOYSA-N

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