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| CAS No.: | 55499-43-9 |
|---|---|
| Name: | 3,4-Dimethylphenylboronic acid |
| Article Data: | 4 |
| Molecular Structure: | |
|
|
|
| Formula: | C8H11BO2 |
| Molecular Weight: | 149.985 |
| Synonyms: | Boronicacid, (3,4-dimethylphenyl)- (9CI);Boronicacid, B-(3,4-dimethylphenyl)-; |
| Density: | 1.07 g/cm3 |
| Melting Point: | 220 °C |
| Boiling Point: | 304.9 °C at 760 mmHg |
| Flash Point: | 138.2 °C |
| Appearance: | off-white crystal |
| Hazard Symbols: |
 Xn, Xi
|
| Risk Codes: | 36/37/38-22 |
| Safety: | 37/39-26-36/37 |
| PSA: | 40.46000 |
| LogP: | -0.01680 |
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Chemistry
The Structure of 3,4-Dimethylphenylboronic acid (CAS NO.55499-43-9):
IUPAC Name: (3,4-Dimethylphenyl)boronic acid
Molecular Formula: C8H11BO2
Molecular Weight: 149.98 g/mol
Density: 1.07 g/cm3
Melting Point: 220 °C
Flash Point: 138.2 °C
Boiling Point: 304.9 °C at 760 mmHg
Storage Temp.: 0-6 °C
Index of Refraction: 1.523
Molar Refractivity: 42.53 cm3
Molar Volume: 139.2 cm3
Surface Tension: 39.1 dyne/cm
H-Bond Donor: 2
H-Bond Acceptor: 2
Rotatable Bond Count: 1
Exact Mass: 150.08521
MonoIsotopic Mass: 150.08521
Topological Polar Surface Area: 40.5
Heavy Atom Count: 11
Canonical SMILES: B(C1=CC(=C(C=C1)C)C)(O)O
InChI: InChI=1S/C8H11BO2/c1-6-3-4-8(9(10)11)5-7(6)2/h3-5,10-11H,1-2H3
InChIKey: KDVZJKOYSOFXRV-UHFFFAOYSA-N
Product Categories: blocks; BoronicAcids; Boronic acids; Heterocyclic Compounds; Boronic Acid; Aryl; Organoborons
Safety Profile
Hazard Codes: 
Xn, 
Xi
Risk Statements 36/37/38-22
R36/37/38:Irritating to eyes, respiratory system and skin.
R22:Harmful if swallowed.
Safety Statements 37/39-26-36/37
S37/39:Wear suitable gloves and eye/face protection.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37:Wear suitable protective clothing and gloves.
Hazard Note Irritant
HazardClass IRRITANT
Specification
3,4-Dimethylphenylboronic acid (CAS NO.55499-43-9) is also named as Boronicacid, B-(3,4-dimethylphenyl)- ; Boronicacid, (3,4-dimethylphenyl)- (9CI) ; 3,4-Dimethylbenzeneboronic acid . 3,4-Dimethylphenylboronic acid (CAS NO.55499-43-9) is off-white crystal.