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1-Penten-1-ylboronic acid

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Name

1-Penten-1-ylboronic acid

EINECS -0
CAS No. 104376-24-1 Density 0.936 g/cm3
PSA 40.46000 LogP 0.35470
Solubility N/A Melting Point 100-105 °C(lit.)
Formula C5H11BO2 Boiling Point 209.9 °C at 760 mmHg
Molecular Weight 113.952 Flash Point 80.7 °C
Transport Information N/A Appearance White shinying small flake
Safety 37/39-26 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 104376-24-1 (1-PENTENYLBORONIC ACID) Hazard Symbols IrritantXi
Synonyms

Boronicacid, 1-pentenyl- (9CI);1-Penten-1-ylboronic acid;1-Pentenylboronic acid;

Article Data 7

1-Penten-1-ylboronic acid Specification

The Boronic acid,B-1-penten-1-yl- is an organic compound with the formula C5H11BO2. The IUPAC name of this chemical is [(E)-pent-1-enyl]boronic acid. With the CAS registry number 104376-24-1, it is also named as (1E)-1-Penten-1-ylboronic acid. The product's categories are Blocks; Boronic Acids; Alkenyl; Boronic Acids; Boronic Acids and Derivatives; Organoborons. It is white shinying small flake which is stable under normal temperature and pressure. Additionally, this chemical should be sealed in the container and stored in the cool and dry place.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 2.02; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.02; (4)ACD/LogD (pH 7.4): 2.02; (5)ACD/BCF (pH 5.5): 20.26; (6)ACD/BCF (pH 7.4): 20.18; (7)ACD/KOC (pH 5.5): 299.82; (8)ACD/KOC (pH 7.4): 298.67; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Index of Refraction: 1.435; (13)Molar Refractivity: 31.76 cm3; (14)Molar Volume: 121.6 cm3; (15)Polarizability: 12.59×10-24 cm3; (16)Surface Tension: 31.7 dyne/cm; (17)Enthalpy of Vaporization: 51.9 kJ/mol; (18)Vapour Pressure: 0.0452 mmHg at 25°C; (19)Rotatable Bond Count: 3; (20)Exact Mass: 114.08521; (21)MonoIsotopic Mass: 114.08521; (22)Topological Polar Surface Area: 40.5; (23)Heavy Atom Count: 8; (24)Complexity: 70.8.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable gloves and eye/face protection.

People can use the following data to convert to the molecule structure. 
1. SMILES:OB(O)/C=C/CCC
2. InChI:InChI=1/C5H11BO2/c1-2-3-4-5-6(7)8/h4-5,7-8H,2-3H2,1H3/b5-4+ 
3. InChIKey:SYKWJOZHNDPWIM-SNAWJCMRBB

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