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Name
4-ETHOXY-2-METHYLPHENYLBORONIC ACID
- EINECS
- CAS No. 313545-31-2
- Density 1.11 g/cm3
- Solubility
- Melting Point 163-168 °C(lit.)
- Formula C9H13BO3
- Boiling Point 338.258 °C at 760 mmHg
- Molecular Weight 180.011
- Flash Point 158.373 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
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Molecular Structure
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Hazard Symbols
Xi
- Synonyms Boronicacid, (4-ethoxy-2-methylphenyl)- (9CI);(4-Ethoxy-2-methylphenyl)boronic acid;2-Methyl-4-ethoxyphenylboronic acid;
- PSA 49.69000
- LogP 0.07350
Boronic acid,B-(4-ethoxy-2-methylphenyl)- Specification
The CAS register number of Boronic acid,B-(4-ethoxy-2-methylphenyl)- is 313545-31-2. It also can be called as 4-Ethoxy-2-methylphenylboronicacid and the systematic name about this chemical is (4-ethoxy-2-methylphenyl)boronic acid. The molecular formula about this chemical is C9H13BO3 and the molecular weight is 180.01. It belongs to the following product categories which include Blocks; BoronicAcids; Aryl; Boronic Acids; Boronic Acids and Derivatives and so on.
Physical properties about Boronic acid,B-(4-ethoxy-2-methylphenyl)- are: (1)ACD/LogP: 2.34; (2)ACD/LogD (pH 5.5): 2; (3)ACD/LogD (pH 7.4): 2; (4)ACD/BCF (pH 5.5): 46; (5)ACD/BCF (pH 7.4): 45; (6)ACD/KOC (pH 5.5): 543; (7)ACD/KOC (pH 7.4): 531; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 49.69Å2; (12)Index of Refraction: 1.516; (13)Molar Refractivity: 48.908 cm3; (14)Molar Volume: 162.009 cm3; (15)Polarizability: 19.388x10-24cm3; (16)Surface Tension: 40.49 dyne/cm; (17)Flash Point: 158.373 °C; (18)Enthalpy of Vaporization: 61.385 kJ/mol; (19)Boiling Point: 338.258 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: CCOc1cc(C)c(cc1)B(O)O
(2)InChI: InChI=1/C9H13BO3/c1-3-13-8-4-5-9(10(11)12)7(2)6-8/h4-6,11-12H,3H2,1-2H3
(3)InChIKey: MBEQXBKSJCOKJF-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C9H13BO3/c1-3-13-8-4-5-9(10(11)12)7(2)6-8/h4-6,11-12H,3H2,1-2H3
(5)Std. InChIKey: MBEQXBKSJCOKJF-UHFFFAOYSA-N
Related Products
- Boronic acid, (10-[1,1'-biphenyl]-4-yl-9-anthracenyl)-
- Boronic acid, (3-amino-5-cyanophenyl)-, monohydrochloride(9CI)
- Boronic acid, (3-amino-5-nitrophenyl)-, monohydrochloride(9CI)
- Boronic acid, (4-bromo-2-nitrophenyl)-
- Boronic acid, (5-methoxy-2-thienyl)-
- Boronic acid, (9,9-diphenyl-9H-fluoren-2-yl)-
- Boronic acid, [2-[(2-methylphenoxy)methyl]phenyl]- (9CI)
- Boronic acid, [4-(nonyloxy)phenyl]-(9CI)
- Boronic acid, [4-[5-[4-(dimethylamino)phenyl]-2-oxazolyl]phenyl]-(9CI)
- Boronic acid, 2,5-benzofurandiylbis-
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