Boronic acid,B-(1E)-1-hepten-1-yl- supplier

Name
TRANS-HEPTENYLBORONIC ACID
EINECS
CAS No. 57404-76-9
Article Data13
CAS DataBase
Density 0.918g/cm³
Solubility
Melting Point 107-111 °C(lit.)
Formula C₇H₁₅BO₂
Boiling Point 245.7 °C at 760 mmHg
Molecular Weight 142.006
Flash Point 102.4 °C
Transport Information
Appearance
Safety 36/37
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms (E)-Hept-1-enylboronic acid;trans-1-Hepten-1-ylboronic acid;((E)-Hept-1-enyl)boronic acid;Boronic acid, 1-heptenyl-, (E)-;Boronicacid, (1E)-1-heptenyl- (9CI);
PSA 40.46000
LogP 1.13490

Boronic acid,B-(1E)-1-hepten-1-yl- Specification

The Boronic acid,B-(1E)-1-hepten-1-yl-, with CAS registry number 57404-76-9, belongs to the following product categories: (1)Blocks; (2)Alkenyl; (3)Boronic Acids; (4)Boronic Acids and Derivatives. It has the systematic name of (1E)-hept-1-en-1-ylboronic acid. This chemical should be kept cold. And the chemical formula of this chemical is C₇H₁₅BO₂.

Physical properties of Boronic acid,B-(1E)-1-hepten-1-yl-: (1)ACD/LogP: 3.09; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.08; (4)ACD/LogD (pH 7.4): 3.08; (5)ACD/BCF (pH 5.5): 130.08; (6)ACD/BCF (pH 7.4): 129.59; (7)ACD/KOC (pH 5.5): 1134.92; (8)ACD/KOC (pH 7.4): 1130.59; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 18.46 Å²; (13)Index of Refraction: 1.443; (14)Molar Refractivity: 41.03 cm³; (15)Molar Volume: 154.6 cm³; (16)Polarizability: 16.26×10^-24cm³; (17)Surface Tension: 32.1 dyne/cm; (18)Density: 0.918 g/cm³; (19)Flash Point: 102.4 °C; (20)Enthalpy of Vaporization: 56.1 kJ/mol; (21)Boiling Point: 245.7 °C at 760 mmHg; (22)Vapour Pressure: 0.00469 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The Boronic acid,B-(1E)-1-hepten-1-yl- irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: OB(O)/C=C/CCCCC
(2)InChI: InChI=1/C7H15BO2/c1-2-3-4-5-6-7-8(9)10/h6-7,9-10H,2-5H2,1H3/b7-6+
(3)InChIKey: LDTJUGVTOZBIBN-VOTSOKGWBO
(4)Std. InChI: InChI=1S/C7H15BO2/c1-2-3-4-5-6-7-8(9)10/h6-7,9-10H,2-5H2,1H3/b7-6+
(5)Std. InChIKey: LDTJUGVTOZBIBN-VOTSOKGWSA-N

Product Name

TRANS-HEPTENYLBORONIC ACID

Boronic acid,B-(1E)-1-hepten-1-yl- Specification

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