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CAS No.: | 135884-31-0 |
---|---|
Name: | N-Boc-2-pyrroleboronic acid |
Article Data: | 16 |
Molecular Structure: | |
Formula: | C9H14BNO4 |
Molecular Weight: | 211.025 |
Synonyms: | (N-tert-Butoxycarbonylpyrrol-2-yl)boronic acid;1-(tert-Butoxycarbonyl)pyrrole-2-boronic acid;2-(Dihydroxyboryl)pyrrole-1-carboxylic acid tert-butyl ester;N-Boc-pyrrole-2-boronic acid;[1-(Boc)pyrrol-2-yl]boronic acid;tert-Butyl2-(dihydroxyboryl)pyrrole-1-carboxylate; |
Density: | 1.13 g/cm3 |
Melting Point: | 93-98 ºC (dec.) |
Boiling Point: | 361.4 ºC at 760 mmHg |
Flash Point: | 172.4 ºC |
Appearance: | beige to light brown crystalline powder |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-37/39 |
PSA: | 71.69000 |
LogP: | -0.04890 |
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Molecular Structure:
Molecular Formula: C9H14BNO4
Molecular Weight: 211.02
IUPAC Name: [1-[(2-Methylpropan-2-yl)xycarbonyl]pyrrol-2-yl]Boronic acid
CAS No: 135884-31-0
H bond acceptors: 5
H bond donors: 2
Freely Rotating Bonds: 5
Polar Surface Area: 49.69 Å2
Index of Refraction: 1.494
Molar Refractivity: 54.18 cm3
Molar Volume: 185.8 cm3
Surface Tension: 38.2 dyne/cm
Density: 1.13 g/cm3
Flash Point: 172.4 °C
Enthalpy of Vaporization: 64.07 kJ/mol
Boiling Point: 361.4 °C at 760 mmHg
Melting point: 93-98 °C (dec.)(lit.)
Vapour Pressure: 7.46E-06 mmHg at 25°C
Product Categories:Azoles;Blocks;BoronicAcids;Boronic acids;Boronic Acid;Organoborons;Pyrrole;Heterocyclic Compounds;Heterocycles
InChI: InChI=1/C9H14BNO4/c1-9(2,3)15-8(12)11-6-4-5-7(11)10(13)14/h4-6,13-14H,1-3H3 InChIKey: ZWGMJLNXIVRFRJ-UHFFFAOYAD
Std. InChI: InChI=1S/C9H14BNO4/c1-9(2,3)15-8(12)11-6-4-5-7(11)10(13)14/h4-6,13-14H,1-3H3 Std. InChIKey: ZWGMJLNXIVRFRJ-UHFFFAOYSA-N
Synonyms of 1H-Pyrrole-1-carboxylicacid, 2-borono-, 1-(1,1-dimethylethyl) ester(CAS No.135884-31-0 ) : Pyrrole-2-boronic acid ; Boc protected ; Rarechem ah pb 0048 ; N-boc-pyrrole-2-boronic acid ; N-boc-pyrryl-boronic acid ; N-boc-2-pyrroleboronic acid
Hazard Codes:XiXn
Risk Statements:36/37/38-20/21/22
R36/37/38:Irritating to eyes, respiratory system and skin.
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
Safety Statements:37/39-26-36
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:Wear suitable protective clothing.
WGK Germany:3
F:10-21
Hazard Note:Irritant
HazardClass:KEEP COLD