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4-(Cyclopropylmethoxy)phenylboronic acid

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Name

4-(Cyclopropylmethoxy)phenylboronic acid

EINECS N/A
CAS No. 411229-67-9 Density 1.19 g/cm3
PSA 49.69000 LogP 0.15520
Solubility N/A Melting Point N/A
Formula C10H13BO3 Boiling Point 363.2 °C at 760 mmHg
Molecular Weight 192.022 Flash Point 173.5 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 411229-67-9 (4-(CYCLOPROPYLMETHOXY)BENZENEBORONIC ACID) Hazard Symbols IrritantXi
Synonyms

4-(Cyclopropylmethoxy)phenylboronic acid;Boronicacid, [4-(cyclopropylmethoxy)phenyl]- (9CI);

Article Data 2

4-(Cyclopropylmethoxy)phenylboronic acid Specification

The Boronic acid,B-[4-(cyclopropylmethoxy)phenyl]-, with the CAS registry number 411229-67-9, is also known as 4-(Cyclopropylmethoxy)phemylboronic acid. It belongs to the product category of Boronic Acids. This chemical's molecular formula is C10H13BO3 and molecular weight is 192.0194. What's more, its systematic name is [4-(Cyclopropylmethoxy)phenyl]boronic acid.

Physical properties about Boronic acid,B-[4-(cyclopropylmethoxy)phenyl]- are: (1)ACD/LogP: 2.40; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.4; (4)ACD/LogD (pH 7.4): 2.38; (5)ACD/BCF (pH 5.5): 39.43; (6)ACD/BCF (pH 7.4): 37.62; (7)ACD/KOC (pH 5.5): 482.86; (8)ACD/KOC (pH 7.4): 460.69; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 27.69 Å2; (13)Index of Refraction: 1.553; (14)Molar Refractivity: 51.48 cm3; (15)Molar Volume: 160.6 cm3; (16)Polarizability: 20.4×10-24 cm3; (17)Surface Tension: 46.2 dyne/cm; (18)Density: 1.19 g/cm3; (19)Flash Point: 173.5 °C; (20)Enthalpy of Vaporization: 64.28 kJ/mol; (21)Boiling Point: 363.2 °C at 760 mmHg; (22)Vapour Pressure: 6.52E-06 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it may cause inflammation to the skin or other mucous membranes. In addition, this chemical irritates to eyes, respiratory system and skin. 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: O(c1ccc(B(O)O)cc1)CC2CC2
(2) InChI: InChI=1/C10H13BO3/c12-11(13)9-3-5-10(6-4-9)14-7-8-1-2-8/h3-6,8,12-13H,1-2,7H2
(3) InChIKey: AYJVDOMUBHORKK-UHFFFAOYAJ

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