Boronic acid,B-[4-[(butylamino)carbonyl]phenyl]- supplier

Name
4-(BUTYLAMINOCARBONYL)PHENYLBORONIC ACID
EINECS
CAS No. 252663-48-2
Article Data2
CAS DataBase
Density 1.14 g/cm³
Solubility
Melting Point 206-210°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
Synonyms [4-[(Butylamino)carbonyl]phenyl]boronic acid;Boronicacid, [4-[(butylamino)carbonyl]phenyl]- (9CI);
PSA 69.56000
LogP 0.28720

Boronic acid,B-[4-[(butylamino)carbonyl]phenyl]- Specification

The Boronic acid,B-[4-[(butylamino)carbonyl]phenyl]-, with the CAS registry number 252663-48-2, is also known as 4-(Butylaminocarbonyl)benzeneboronic acid. It belongs to the product categories of Blocks; BoronicAcids; Aryl; Organoborons. This chemical's molecular formula is C₁₁H₁₆BNO₃ and molecular weight is 221.06. What's more, its systematic name is [4-(Butylcarbamoyl)phenyl]boronic acid.

Physical properties about this chemical are: (1)ACD/LogP: 1.83; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.82; (4)ACD/LogD (pH 7.4): 1.75; (5)ACD/BCF (pH 5.5): 14.32; (6)ACD/BCF (pH 7.4): 11.96; (7)ACD/KOC (pH 5.5): 233.74; (8)ACD/KOC (pH 7.4): 195.16; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 38.77 Å²; (13)Index of Refraction: 1.533; (14)Molar Refractivity: 60.2 cm³; (15)Molar Volume: 193.7 cm³; (16)Polarizability: 23.86×10^-24cm³; (17)Surface Tension: 45.6 dyne/cm; (18)Density: 1.14 g/cm³.

When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system and skin. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(c1ccc(B(O)O)cc1)NCCCC
(2) InChI: InChI=1/C11H16BNO3/c1-2-3-8-13-11(14)9-4-6-10(7-5-9)12(15)16/h4-7,15-16H,2-3,8H2,1H3,(H,13,14)
(3) InChIKey: YPXNMPMFCXGXPU-UHFFFAOYAF

Product Name

4-(BUTYLAMINOCARBONYL)PHENYLBORONIC ACID

Boronic acid,B-[4-[(butylamino)carbonyl]phenyl]- Specification

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