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| CAS No.: | 40138-18-9 |
|---|---|
| Name: | 5-Methoxy-2-formylphenylboronic acid |
| Molecular Structure: | |
|
|
|
| Formula: | C8H9BO4 |
| Molecular Weight: | 179.968 |
| Synonyms: | Boronicacid, (2-formyl-5-methoxyphenyl)- (9CI); |
| Density: | 1.26 g/cm3 |
| Melting Point: | 155-160 °C |
| Boiling Point: | 417.967 °C at 760 mmHg |
| Flash Point: | 206.579 °C |
| Appearance: | Yellowish-beige powder |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 37/39-26 |
| PSA: | 66.76000 |
| LogP: | -0.81250 |
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Chemistry
IUPAC Name: (2-Formyl-5-methoxyphenyl)boronic acid
Synonyms of 5-Methoxy-2-formylphenylboronic acid (CAS NO.40138-18-9): 2-Formyl-5-methoxyphenylboronic acid
CAS NO: 40138-18-9
Molecular Formula: C8H9BO4
Molecular Weight: 179.97
Molecular Structure: 
H bond acceptors: 4
H bond donors: 2
Freely Rotating Bonds: 5
Polar Surface Area: 44.76 Å2
Index of Refraction: 1.537
Molar Refractivity: 44.62 cm3
Molar Volume: 142.8 cm3
Surface Tension: 48.7 dyne/cm
Density: 1.25 g/cm3
Flash Point: 206.6 °C
Enthalpy of Vaporization: 70.79 kJ/mol
Boiling Point: 418 °C at 760 mmHg
Vapour Pressure: 9.83E-08 mmHg at 25°C
Melting Point: 155-160 °C
Storage temp: 0-6°C
Appearance: Yellowish-beige powder
SMILES: O=Cc1ccc(OC)cc1B(O)O
InChI: InChI=1/C8H9BO4/c1-13-7-3-2-6(5-10)8(4-7)9(11)12/h2-5,11-12H,1H3
InChIKey: YISYHZMNRATPRA-UHFFFAOYAC
Std. InChI: InChI=1S/C8H9BO4/c1-13-7-3-2-6(5-10)8(4-7)9(11)12/h2-5,11-12H,1H3
Std. InChIKey: YISYHZMNRATPRA-UHFFFAOYSA-N
Product Categories of 5-Methoxy-2-formylphenylboronic acid (CAS NO.40138-18-9): Substituted Boronic Acids;Boronic acids;Heterocyclic Compounds;Aldehyde;Aryl;Organoborons
Safety Profile
Hazard Codes: 
Xi
Risk Statements: 36/37/38
R36/37/38: Irritating to eyes, respiratory system and skin.
Safety Statements: 37/39-26
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.
HazardClass: IRRITANT, KEEP COLD
Specification
General Information: As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear.
Extinguishing Media: Use water spray, dry chemical, carbon dioxide, or chemical foam.
Handling: Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes.
Storage: Store 5-Methoxy-2-formylphenylboronic acid (CAS NO.40138-18-9) in a tightly closed container. Store in a dry area. Keep refrigerated. (Store below 4°C/39°F.)