Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
2-(3-Bromophenoxy)tetrahydro-2H-pyran |
EINECS | 145-693-6 |
CAS No. | 57999-49-2 | Density | 1.403 g/cm3 |
PSA | 18.46000 | LogP | 3.35450 |
Solubility | N/A | Melting Point |
42-46 °C(lit.) |
Formula | C11H13BrO2 | Boiling Point | 322.4 °C at 760 mmHg |
Molecular Weight | 257.127 | Flash Point | 142.8 °C |
Transport Information | N/A | Appearance | UN 3077 |
Safety | 61-36-26 | Risk Codes | 51-53-36/37/38-20/21/22 |
Molecular Structure | Hazard Symbols | N,Xn | |
Synonyms |
2-(3-bromophenoxy)oxane |
Article Data | 8 |
This chemical is called 2-(3-Bromophenoxy)tetrahydro-2H-pyran, and it's also named as 2H-pyran, 2-(3-bromophenoxy)tetrahydro-. With the molecular formula of C11H13BrO2, its molecular weight is 257.12. The CAS registry number of this chemical is 57999-49-2. Additionally, its product categories are Aromatic Ethers; Bromine Compounds; Miscellaneous Compounds; Building Blocks; Halogenated Heterocycles; Heterocyclic Building Blocks; Pyrans. However, this chemical should be stored in the cool and dry place.
Other characteristics of the 2-(3-Bromophenoxy)tetrahydro-2H-pyran can be summarised as followings: (1)ACD/LogP: 3.02; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.02; (4)ACD/LogD (pH 7.4): 3.02; (5)ACD/BCF (pH 5.5): 116.52; (6)ACD/BCF (pH 7.4): 116.52; (7)ACD/KOC (pH 5.5): 1048.94; (8)ACD/KOC (pH 7.4): 1048.94; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 18.46 Å2; (13)Index of Refraction: 1.553; (14)Molar Refractivity: 58.64 cm3; (15)Molar Volume: 183.1 cm3; (16)Polarizability: 23.25×10-24cm3; (17)Surface Tension: 42 dyne/cm; (18)Density: 1.403 g/cm3; (19)Flash Point: 142.8 °C; (20)Enthalpy of Vaporization: 54.18 kJ/mol; (21)Boiling Point: 322.4 °C at 760 mmHg; (22)Vapour Pressure: 0.000527 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: Brc2cc(OC1OCCCC1)ccc2
2.InChI: InChI=1/C11H13BrO2/c12-9-4-3-5-10(8-9)14-11-6-1-2-7-13-11/h3-5,8,11H,1-2,6-7H2
3.InChIKey: YDIPSMGGPVMCHP-UHFFFAOYAP