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| CAS No.: | 274-07-7 |
|---|---|
| Name: | CATECHOLBORANE |
| Molecular Structure: | |
|
|
|
| Formula: | C6H5BO2 |
| Molecular Weight: | 119.915 |
| Synonyms: | Benzcatechinborane;Catecholatoborane;1,3,2-Benzodioxaborole;Pyrocatecholborane; |
| EINECS: | 205-991-5 |
| Density: | 1.125g/mLat 25°C(lit.) |
| Melting Point: | 12 °C(lit.) |
| Boiling Point: | 121.385 °C at 760 mmHg |
| Flash Point: | 27.213 °C |
| Solubility: | Reacts with water. |
| Appearance: | clear colorless solution |
| Hazard Symbols: |
 F,  C
|
| Risk Codes: | 11-19-34-67-65-63-48/20-14 |
| Safety: | 26-36/37/39-45-62-16-43 |
| Transport Information: | UN 2924 3/PG 2 |
| PSA: | 18.46000 |
| LogP: | 0.72430 |
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Chemistry
IUPAC Name: Catecholborane
Synonyms of Catecholborane (CAS NO.274-07-7): Catecholborane
CAS NO: 274-07-7
Molecular Formula: C6H5BO2
Molecular Weight: 119.91
Molecular Structure: 
EINECS: 205-991-5
H bond acceptors: 2
H bond donors: 0
Freely Rotating Bonds: 0
Polar Surface Area: 18.46 Å2
Flash Point: 27.213 °C
Enthalpy of Vaporization: 34.459 kJ/mol
Boiling Point: 121.385 °C at 760 mmHg
Vapour Pressure: 17.554 mmHg at 25°C
Melting Point: 12 °C(lit.)
Storage temp: 2-8°C
Sensitive: Moisture Sensitive
Appearance: clear colorless solution.
SMILES: c1cccc2OBOc12
InChI: InChI=1/C6H5BO2/c1-2-4-6-5(3-1)8-7-9-6/h1-4,7H
InChIKey: CENMEJUYOOMFFZ-UHFFFAOYAI
Std. InChI: InChI=1S/C6H5BO2/c1-2-4-6-5(3-1)8-7-9-6/h1-4,7H
Std. InChIKey: CENMEJUYOOMFFZ-UHFFFAOYSA-N
Product Categories of Catecholborane (CAS NO.274-07-7): BoranesOrganometallic Reagents;Boronic Acids and Derivatives;Borylation Reagents;Reduction;Synthetic Reagents
Safety Profile
Hazard Codes: 
F,
C
Risk Statements: 11-19-34-67-65-63-48/20-14
R11: Highly flammable.
R14 : Reacts violently with water.
R19: May form explosive peroxides.
R34: Causes burns.
R48/20: Harmful: danger of serious damage to health by prolonged exposure through inhalation
R63: Possible risk of harm to the unborn child.
R65: Harmful: may cause lung damage if swallowed.
R67:Vapours may cause drowsiness and dizziness.
Safety Statements: 26-36/37/39-45-62-16-43
S16: Keep away from sources of ignition.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37/39: Wear suitable protective clothing, gloves and eye/face protection.
S45: In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
S43: In case of fire use ... (there follows the type of fire-fighting equipment to be used.)
S62: If swallowed, do not induce vomitting; seek medical advice immediately and show this container or label.
RIDADR: UN 2924 3/PG 2
WGK Germany: 3
F: 1-10
HazardClass: 3
PackingGroup: II
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. Reacts violently with water giving off flammable gas which may explode. Vapors can travel to a source of ignition and flash back. Will burn if involved in a fire.
Extinguishing Media: Use dry chemical.
Handling: Do not breathe dust, vapor, mist, or gas. Do not get in eyes, on skin, or on clothing. Use only in a chemical fume hood.
Storage: Keep Catecholborane (CAS NO.274-07-7) away from sources of ignition. Store in a tightly closed container. Store in a dry area. Keep under a nitrogen blanket. Refrigerator/flammables.
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