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3-Formylthiophene-2-boronic acid

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Name

3-Formylthiophene-2-boronic acid

EINECS -0
CAS No. 17303-83-2 Density 1.412 g/cm3
PSA 85.77000 LogP -0.75960
Solubility Slightly soluble in water. Melting Point 330 °C (dec.)(lit.)
Formula C5H5BO3S Boiling Point 381.212 °C at 760 mmHg
Molecular Weight 155.97 Flash Point 184.351 °C
Transport Information N/A Appearance N/A
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 17303-83-2 (3-FORMYL-2-THIOPHENEBORONIC ACID) Hazard Symbols R36/37/38:Irritating to eyes, respiratory system and skin.;
Synonyms

2-Thiopheneboronicacid, 3-formyl- (8CI);Boronic acid, (3-formyl-2-thienyl)- (9CI);3-Formyl-2-thiopheneboronic acid;3-Formyl-2-thienylboronic acid;(3-formylthiophen-2-yl)boronic acid;boronic acid, B-(3-formyl-2-thienyl)-;

 

3-Formylthiophene-2-boronic acid Specification

The Boronic acid,B-(3-formyl-2-thienyl)-, with the CAS registry number 17303-83-2, has the systematic name of (3-formylthiophen-2-yl)boronic acid. It is a kind of air sensitive chemical, and belongs to the following product categories: Aldehydes; Azoles; Blocks; BoronicAcids; Boronic Acids; Boronic Acids and Derivatives; Heteroaryl. And the molecular formula of the chemical is C5H5BO3S.

The characteristics of Boronic acid,B-(3-formyl-2-thienyl)- are as followings: (1)ACD/LogP: 0.38; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.38; (4)ACD/LogD (pH 7.4): 0.3; (5)ACD/BCF (pH 5.5): 1.14; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 38.29; (8)ACD/KOC (pH 7.4): 31.61; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 63.77 Å2; (13)Index of Refraction: 1.573; (14)Molar Refractivity: 36.39 cm3; (15)Molar Volume: 110.4 cm3; (16)Polarizability: 14.42×10-24cm3; (17)Surface Tension: 57.2 dyne/cm; (18)Density: 1.41 g/cm3; (19)Flash Point: 184.4 °C; (20)Enthalpy of Vaporization: 66.4 kJ/mol; (21)Boiling Point: 381.2 °C at 760 mmHg; (22)Vapour Pressure: 1.72E-06 mmHg at 25°C.

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=Cc1ccsc1B(O)O
(2)InChI: InChI=1/C5H5BO3S/c7-3-4-1-2-10-5(4)6(8)9/h1-3,8-9H
(3)InChIKey: HYXMHAHVUFTVFZ-UHFFFAOYAF

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