Carbamic acid,N-(4-boronophenyl)-, C-methyl ester supplier

Name
4-(METHOXYCARBONYLAMINO)BENZENEBORONIC ACID
EINECS
CAS No. 850567-96-3
Density 1.29 g/cm³
Solubility
Melting Point 234-236 °C
Formula C₈H₁₀BNO₄
Boiling Point
Molecular Weight 194.983
Flash Point
Transport Information
Appearance
Safety 26-36/37/39
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms Carbamicacid, (4-boronophenyl)-, C-methyl ester (9CI);4-(Methoxycarbonylamino)benzeneboronic acid;4-(Methoxycarbonylamino)phenylboronicacid;
PSA 78.79000
LogP -0.38230

Carbamic acid,N-(4-boronophenyl)-, C-methyl ester 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

Product Name

4-(METHOXYCARBONYLAMINO)BENZENEBORONIC ACID

Carbamic acid,N-(4-boronophenyl)-, C-methyl ester Specification

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