Boronicacid, B-[4-[(phenylamino)carbonyl]phenyl]- supplier

Name
(4-PHENYLAMINOCARBONYLPHENYL)BORONIC ACID
EINECS
CAS No. 330793-45-8
Article Data7
CAS DataBase
Density 1.281 g/cm³
Solubility
Melting Point 210-216 °C
Formula C₁₃H₁₂BNO₃
Boiling Point
Molecular Weight 241.054
Flash Point
Transport Information
Appearance
Safety 26-36/37/39
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms Boronicacid, [4-[(phenylamino)carbonyl]phenyl]- (9CI);4-(Anilinocarbonyl)phenylboronic acid;[4-(Phenylcarbamoyl)phenyl]boronic acid;[4-[(Phenylamino)carbonyl]phenyl]boronic acid;
PSA 69.56000
LogP 0.69170

Boronicacid, B-[4-[(phenylamino)carbonyl]phenyl]- Specification

The Boronicacid, B-[4-[(phenylamino)carbonyl]phenyl]-, with the CAS registry number 330793-45-8, is also known as 4-(Anilinocarbonyl)phenylboronic acid. It belongs to the product categories of Blocks; Boronic Acids. This chemical's molecular formula is C₁₃H₁₂BNO₃ and molecular weight is 241.05. What's more, its systematic name is [4-(phenylcarbamoyl)phenyl]boronic acid.

Physical properties of Boronicacid, B-[4-[(phenylamino)carbonyl]phenyl]- are: (1)ACD/LogP: 1.52; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 19; (6)ACD/BCF (pH 7.4): 17; (7)ACD/KOC (pH 5.5): 288; (8)ACD/KOC (pH 7.4): 259; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 69.56 Å²; (13)Index of Refraction: 1.623; (14)Molar Refractivity: 66.394 cm³; (15)Molar Volume: 188.202 cm³; (16)Polarizability: 26.321×10^-24cm³; (17)Surface Tension: 57.063 dyne/cm; (18)Density: 1.281 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(Nc1ccccc1)c2ccc(cc2)B(O)O
(2)InChI: InChI=1S/C13H12BNO3/c16-13(15-12-4-2-1-3-5-12)10-6-8-11(9-7-10)14(17)18/h1-9,17-18H,(H,15,16)
(3)InChIKey: DAUSGSRIYCUJDK-UHFFFAOYSA-N

Product Name

(4-PHENYLAMINOCARBONYLPHENYL)BORONIC ACID

Boronicacid, B-[4-[(phenylamino)carbonyl]phenyl]- Specification

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