Boronic acid,B-[4-[[(1,1-dimethylethyl)amino]carbonyl]phenyl]- supplier

Name
4-(TERT-BUTYLAMINOCARBONYL)PHENYLBORONIC ACID
EINECS
CAS No. 850568-14-8
Density 1.13 g/cm³
Solubility
Melting Point 230-246 °C
Formula C₁₁H₁₆BNO₃
Boiling Point
Molecular Weight 221.064
Flash Point
Transport Information
Appearance
Safety 26-36/37/39
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms Boronicacid, [4-[[(1,1-dimethylethyl)amino]carbonyl]phenyl]- (9CI);[4-(tert-Butylaminocarbonyl)phenyl]boronic acid;B-[4-[[(1,1-dimethylethyl)amino]carbonyl]phenyl]boronic acid;4-(tert-Butylaminocarbonyl)phenylboronic acid;
PSA 69.56000
LogP 0.28560

Boronic acid,B-[4-[[(1,1-dimethylethyl)amino]carbonyl]phenyl]- Specification

The Boronic acid,B-[4-[[(1,1-dimethylethyl)amino]carbonyl]phenyl]-, with the CAS registry number 850568-14-8, is also known as B-[4-[[(1,1-dimethylethyl)amino]carbonyl]phenyl]boronic acid. It belongs to the product categories of Blocks; Boronic Acids; Aryl; Organoborons. This chemical's molecular formula is C₁₁H₁₆BNO₃ and molecular weight is 221.06. What's more, its systematic name is [4-(tert-butylcarbamoyl)phenyl]boronic acid.

Physical properties of Boronic acid,B-[4-[[(1,1-dimethylethyl)amino]carbonyl]phenyl]- are: (1)ACD/LogP: 1.46; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.46; (4)ACD/LogD (pH 7.4): 1.38; (5)ACD/BCF (pH 5.5): 7.55; (6)ACD/BCF (pH 7.4): 6.31; (7)ACD/KOC (pH 5.5): 147.82; (8)ACD/KOC (pH 7.4): 123.5; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 38.77 Å²; (13)Index of Refraction: 1.532; (14)Molar Refractivity: 60.2 cm³; (15)Molar Volume: 194.1 cm³; (16)Polarizability: 23.86×10^-24cm³; (17)Surface Tension: 43.9 dyne/cm; (18)Density: 1.13 g/cm³.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1ccc(B(O)O)cc1)NC(C)(C)C
(2)InChI: InChI=1S/C11H16BNO3/c1-11(2,3)13-10(14)8-4-6-9(7-5-8)12(15)16/h4-7,15-16H,1-3H3,(H,13,14)
(3)InChIKey: JAIIZPWLCVMPFA-UHFFFAOYSA-N

Product Name

4-(TERT-BUTYLAMINOCARBONYL)PHENYLBORONIC ACID

Boronic acid,B-[4-[[(1,1-dimethylethyl)amino]carbonyl]phenyl]- Specification

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