Welcome to LookChem.com Sign In|Join Free
  • or
Home > Products >  > 

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

Related Products

Hot Products

Basic Information Post buying leads Suppliers
Name

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

EINECS N/A
CAS No. 850568-42-2 Density 1.19 g/cm3
PSA 69.56000 LogP -0.60660
Solubility Slightly soluble in water. Melting Point 253-255 °C
Formula C9H12BNO3 Boiling Point N/A
Molecular Weight 193.01 Flash Point N/A
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 850568-42-2 ((3-ACETAMIDOMETHYL)BENZENEBORONIC ACID) Hazard Symbols IrritantXi
Synonyms

3-[Acetamidomethyl]phenylboronicacid;Boronicacid, [3-[(acetylamino)methyl]phenyl]- (9CI);[3-[(Acetylamino)methyl]phenyl]boronic acid;

 

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

Post a RFQ

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

1

What can I do for you?
Get Best Price

Get Best Price for 850568-42-2