Boronic acid,[3-[(trichloroacetyl)amino]phenyl]- (9CI) supplier

Name
3-(2,2,2-TRICHLOROACETAMIDO)BENZENEBORONIC ACID
EINECS
CAS No. 276669-74-0
Density 1.572 g/cm³
Solubility
Melting Point 220-222 °C
Formula C₈H₇BCl₃NO₃
Boiling Point
Molecular Weight 282.32
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms 3-(2,2,2-Trichloroacetamido)benzeneboronic acid;3-(2,2,2-Trichloroacetamido)phenylboronic acid;3-(2,2,2-Trichloroacetamido)benzeneboronic acid 97%;
PSA 69.56000
LogP 0.74810

Boronic acid,[3-[(trichloroacetyl)amino]phenyl]- (9CI) Specification

The CAS register number of Boronic acid,[3-[(trichloroacetyl)amino]phenyl]- (9CI) is 276669-74-0. It also can be called as 3-(2,2,2-Trichloroacetamido)benzeneboronic acid and the systematic name about this chemical is {3-[(trichloroacetyl)amino]phenyl}boronic acid. The molecular formula about this chemical is C₈H₇BCl₃NO₃ and the molecular weight is 282.32. It belongs to the following product categories which include blocks; BoronicAcids and so on. This chemical is irritant and it may cause inflammation to the skin or other mucous membranes. If you want to store it, please keep cold.

Physical properties about Boronic acid,[3-[(trichloroacetyl)amino]phenyl]- (9CI) are: (1)ACD/LogP: 2.56; (2)ACD/LogD (pH 5.5): 3; (3)ACD/LogD (pH 7.4): 3; (4)ACD/BCF (pH 5.5): 200; (5)ACD/BCF (pH 7.4): 135; (6)ACD/KOC (pH 5.5): 1539; (7)ACD/KOC (pH 7.4): 1041; (8)#H bond acceptors: 4; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 69.56 Å²; (12)Index of Refraction: 1.593; (13)Molar Refractivity: 60.823 cm³; (14)Molar Volume: 179.567 cm³; (15)Polarizability: 24.112x10^-24cm³; (16)Surface Tension: 58.478 dyne/cm; (17)Density: 1.572 g/cm³.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Nc1cccc(c1)B(O)O)C(Cl)(Cl)Cl
(2)InChI: InChI=1/C8H7BCl3NO3/c10-8(11,12)7(14)13-6-3-1-2-5(4-6)9(15)16/h1-4,15-16H,(H,13,14)
(3)InChIKey: RQEOGMVEBAPFSP-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C8H7BCl3NO3/c10-8(11,12)7(14)13-6-3-1-2-5(4-6)9(15)16/h1-4,15-16H,(H,13,14)
(5)Std. InChIKey: RQEOGMVEBAPFSP-UHFFFAOYSA-N

Product Name

3-(2,2,2-TRICHLOROACETAMIDO)BENZENEBORONIC ACID

Boronic acid,[3-[(trichloroacetyl)amino]phenyl]- (9CI) Specification

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