Products Categories
| CAS No.: | 850567-96-3 |
|---|---|
| Name: | 4-(METHOXYCARBONYLAMINO)BENZENEBORONIC ACID |
| Molecular Structure: | |
|
|
|
| Formula: | C8H10BNO4 |
| Molecular Weight: | 194.983 |
| Synonyms: | Carbamicacid, (4-boronophenyl)-, C-methyl ester (9CI);4-(Methoxycarbonylamino)benzeneboronic acid;4-(Methoxycarbonylamino)phenylboronicacid; |
| Density: | 1.29 g/cm3 |
| Melting Point: | 234-236 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 78.79000 |
| LogP: | -0.38230 |
- 852475-26-4MC1568
- 958254-66-51H-Imidazo[4,5-b]pyridine-2-carboxaldehyde, 1-methyl-, hydrochloride
- 99170-93-1N-Methyl-2-oxazolamine
- 914458-26-7[5-(2-fluorophenyl)-1-pentyl-1H-pyrrol-3-yl]-1-naphthalenyl-Methanone
- 894852-01-87-BROMO-2,2-DIMETHYL-2H-PYRIDO[3,2-B][1,4]OXAZIN-3(4H)-ONE
- 90221-55-92-bromo-5-methylbenzaldehyde
- 885590-99-82,3-DIFLUORO-4-IODOBENZALDEHYDE
- 97730-31-9(S)-4'-(2-Methylbutyl)Biphenyl-4-Carbonitrile
- 926293-55-26-Bromo-2-methylpyridine-3-carboxaldehyde
- 911112-05-55-Iodo-3-(trifluoromethyl)-2-pyridinamine
- Total:14 Page 1 of 1 1
What can I do for you?
Get Best Price
Specification
The Carbamic acid,N-(4-boronophenyl)-, C-methyl ester, with the CAS registry number 850567-96-3, is also known as 4-(Methoxycarbonylamino)benzeneboronic acid. It belongs to the product categories of Amines; Blocks; Boronic Acids. This chemical's molecular formula is C8H10BNO4 and molecular weight is 194.98. What's more, its systematic name is called {4-[(Methoxycarbonyl)amino]phenyl}boronic acid.
Physical properties about this Carbamic acid,N-(4-boronophenyl)-, C-methyl ester are: (1) ACD/LogP: 1.14; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 1.14; (4) ACD/LogD (pH 7.4): 1.12; (5) ACD/BCF (pH 5.5): 4.32; (6) ACD/BCF (pH 7.4): 4.12; (7) ACD/KOC (pH 5.5): 99.24; (8) ACD/KOC (pH 7.4): 94.51; (9) #H bond acceptors: 5; (10) #H bond donors: 3; (11) #Freely Rotating Bonds: 5; (12) Polar Surface Area: 48 Å2; (13) Index of Refraction: 1.549; (14) Molar Refractivity: 48.05 cm3; (15) Molar Volume: 150.9 cm3; (16) Surface Tension: 51.2 dyne/cm; (17) Density: 1.29 g/cm3; (18) Melting Point: 234-236 °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: O=C(OC)Nc1ccc(cc1)B(O)O
(2) InChI: InChI=1/C8H10BNO4/c1-14-8(11)10-7-4-2-6(3-5-7)9(12)13/h2-5,12-13H,1H3,(H,10,11)
(3) InChIKey: ROAKVYQVTMOEGR-UHFFFAOYAY