Boronic acid,B-[3-[(acetylamino)methyl]phenyl]- supplier

Name
(3-ACETAMIDOMETHYL)BENZENEBORONIC ACID
EINECS
CAS No. 850568-42-2
Density 1.19 g/cm³
Solubility Slightly soluble in water.
Melting Point 253-255 °C
Formula C₉H₁₂BNO₃
Boiling Point
Molecular Weight 193.01
Flash Point
Transport Information
Appearance
Safety 26-36/37/39
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms 3-[Acetamidomethyl]phenylboronicacid;Boronicacid, [3-[(acetylamino)methyl]phenyl]- (9CI);[3-[(Acetylamino)methyl]phenyl]boronic acid;
PSA 69.56000
LogP -0.60660

Boronic acid,B-[3-[(acetylamino)methyl]phenyl]- Specification

The Boronic acid,B-[3-[(acetylamino)methyl]phenyl]-, with the CAS registry number 850568-42-2, is also known as 3-[Acetamidomethyl]phenylboronicacid. It belongs to the product categories of Blocks; BoronicAcids. This chemical's molecular formula is C₉H₁₂BNO₃ and molecular weight is 193.01. What's more, its systematic name is called {3-[(Acetylamino)methyl]phenyl}boronic acid.

Physical properties about Boronic acid,B-[3-[(acetylamino)methyl]phenyl]- are: (1) ACD/LogP: 0.11; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 0.11; (4) ACD/LogD (pH 7.4): 0.07; (5) ACD/BCF (pH 5.5): 1; (6) ACD/BCF (pH 7.4): 1; (7) ACD/KOC (pH 5.5): 27.39; (8) ACD/KOC (pH 7.4): 24.85; (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: 1.545; (14) Molar Refractivity: 50.94 cm³; (15) Molar Volume: 161 cm³; (16) Surface Tension: 47.8 dyne/cm; (17) Density: 1.19 g/cm³; (18) Melting Point: 253-255 °C.

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. And 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: OB(O)c1cccc(CNC(C)=O)c1
(2) InChI: InChI=1/C9H12BNO3/c1-7(12)11-6-8-3-2-4-9(5-8)10(13)14/h2-5,13-14H,6H2,1H3,(H,11,12)
(3) InChIKey: IXRGNMIMGAJHEG-UHFFFAOYAK

Product Name

(3-ACETAMIDOMETHYL)BENZENEBORONIC ACID

Boronic acid,B-[3-[(acetylamino)methyl]phenyl]- Specification

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