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3-(N,N-Dimethylaminocarbonyl)phenylboronic acid

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Name

3-(N,N-Dimethylaminocarbonyl)phenylboronic acid

EINECS N/A
CAS No. 373384-14-6 Density 1.207 g/cm3
PSA 60.77000 LogP -0.93180
Solubility N/A Melting Point 122-128 °C
Formula C9H12BNO3 Boiling Point 422.971 °C at 760 mmHg
Molecular Weight 193.01 Flash Point 209.605 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 373384-14-6 (3-(DIMETHYLCARBAMOYL)PHENYLBORONIC ACID) Hazard Symbols IrritantXi
Synonyms

Boronicacid, [3-[(dimethylamino)carbonyl]phenyl]- (9CI);N,N-Dimethyl-3-boronobenzamide;N,N-Dimethylbenzamide-3-boronic acid;[3-(N,N-Dimethylaminocarbonyl)phenyl]boronic acid;3-(Dimethylcarbamoyl)phenylboronic acid;

 

3-(N,N-Dimethylaminocarbonyl)phenylboronic acid Specification

This chemical is called Boronic acid, B-[3-[(dimethylamino)carbonyl]phenyl]-, and its systematic name is [3-(dimethylcarbamoyl)phenyl]boronic acid. With the molecular formula of C9H12BNO3, its molecular weight is 193.01. The CAS registry number of this chemical is 373384-14-6. Additionally, its product categories are Blocks; Boronic Acids; Amide; Aryl.

Other characteristics of the Boronic acid, B-[3-[(dimethylamino)carbonyl]phenyl]- can be summarised as followings: (1)ACD/LogP: -0.19; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.2; (4)ACD/LogD (pH 7.4): -0.35; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 18.58; (8)ACD/KOC (pH 7.4): 12.93; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 38.77 Å2; (13)Index of Refraction: 1.553; (14)Molar Refractivity: 51.17 cm3; (15)Molar Volume: 159.8 cm3; (16)Polarizability: 20.28×10-24cm3; (17)Surface Tension: 48.3 dyne/cm; (18)Density: 1.2 g/cm3; (19)Flash Point: 209.6 °C; (20)Enthalpy of Vaporization: 71.39 kJ/mol; (21)Boiling Point: 423 °C at 760 mmHg; (22)Vapour Pressure: 6.56E-08 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
1.SMILES: O=C(c1cc(B(O)O)ccc1)N(C)C
2.InChI: InChI=1/C9H12BNO3/c1-11(2)9(12)7-4-3-5-8(6-7)10(13)14/h3-6,13-14H,1-2H3
3.InChIKey: DCXXIDMHTQDSLY-UHFFFAOYAB

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