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CAS No.: | 308103-40-4 |
---|---|
Name: | 2-Acetylphenylboronic acid |
Article Data: | 8 |
Molecular Structure: | |
Formula: | C8H9BO3 |
Molecular Weight: | 163.969 |
Synonyms: | Boronicacid, (2-acetylphenyl)- (9CI);Boronicacid, B-(2-acetylphenyl)-; |
Density: | 1.19 g/cm3 |
Melting Point: | 170 ºC (dec.)(lit.) |
Boiling Point: | 349.9 ºC at 760 mmHg |
Flash Point: | 165.4 ºC |
Solubility: | Slightly soluble in water. |
Appearance: | white to light yellow crystal powder |
Hazard Symbols: | Xi,C |
Risk Codes: | 36/37/38 |
Safety: | 26-36-37/39 |
PSA: | 57.53000 |
LogP: | -0.43100 |
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Structure of 2-Acetylphenylboronic acid (CAS NO.308103-40-4):
IUPAC Name: (2-Acetylphenyl)boronic acid
Molecular Formula: C8H9BO3
Molar mass: 163.9663 g/mol
Density:1.19 g/cm3
Flash Point: 165.4 °C
Boiling Point: 349.9 °C at 760 mmHg
Melting Point: 170 °C (dec.)(lit.)
Index of Refraction: 1.535
Molar Refractivity: 42.65 cm3
Molar Volume: 136.8 cm3
Surface Tension: 45.3 dyne/cm
Vapour Pressure: 1.7E-05 mmHg at 25 °C
Storage Temp.: 0-6 °C
H-Bond Donor: 2
H-Bond Acceptor: 3
Rotatable Bond Count: 2
Tautomer Count: 2
Exact Mass: 164.064475
MonoIsotopic Mass: 164.064475
Topological Polar Surface Area: 57.5
Heavy Atom Count: 12
Canonical SMILES: B(C1=CC=CC=C1C(=O)C)(O)O
InChI: InChI=1S/C8H9BO3/c1-6(10)7-4-2-3-5-8(7)9(11)12/h2-5,11-12H,1H3
InChIKey: ZKAOVABYLXQUTI-UHFFFAOYSA-N
Product Categories: ACETYLGROUP; blocks; BoronicAcids; Boric acid; Boronic Acid; Aryl; Boronic Acids; Boronic Acids and Derivatives; Boronic Acids
Hazard Codes: Xi, C
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36-37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
S37/39:Wear suitable gloves and eye/face protection.
WGK Germany: 3
Hazard Note: Corrosive
HazardClass: IRRITANT
2-Acetylphenylboronic acid (CAS NO.308103-40-4) is also named as (2-Acetylphenyl)boronic acid ; Boronic acid, B-(2-acetylphenyl)- ; 1-[2-(Dihydroxyboranyl)phenyl]ethan-1-one . 2-Acetylphenylboronic acid (CAS NO.308103-40-4) is white to light yellow crystal powder.