CAS No.104376-24-1,1-PENTENYLBORONIC ACID Suppliers

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Basic Information

Molecular Structure:
CAS No.:	104376-24-1
Name:	1-PENTENYLBORONIC ACID
Article Data:	7

Formula:	C₅H₁₁BO₂
Molecular Weight:	113.952
Synonyms:	Boronicacid, 1-pentenyl- (9CI);1-Penten-1-ylboronic acid;1-Pentenylboronic acid;
EINECS:	-0
Density:	0.936 g/cm³
Melting Point:	100-105 °C(lit.)
Boiling Point:	209.9 °C at 760 mmHg
Flash Point:	80.7 °C
Appearance:	White shinying small flake
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	37/39-26
PSA:	40.46000
LogP:	0.35470

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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