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Basic Information
CAS No.: 135884-31-0
Name: N-Boc-2-pyrroleboronic acid
Molecular Structure:
Molecular Structure of 135884-31-0 (N-Boc-2-pyrroleboronic acid)
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: IrritantXi
Risk Codes: 36/37/38
Safety: 26-37/39
PSA: 71.69000
LogP: -0.04890
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Chemistry

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  

Safety Profile

Hazard Codes:IrritantXiHarmfulXn
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