Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Propyl bromoacetate |
EINECS | N/A |
CAS No. | 35223-80-4 | Density | 1.417 g/cm3 |
PSA | 26.30000 | LogP | 1.33450 |
Solubility | N/A | Melting Point |
155-157 °C(Solv: water (7732-18-5)) |
Formula | C5H9BrO2 | Boiling Point | 177.3 °C at 760 mmHg |
Molecular Weight | 181.029 | Flash Point | 82.2 °C |
Transport Information | N/A | Appearance | Colorless liquid. |
Safety | 45-36/37/39-26-25-27-23 | Risk Codes | 36/37-34 |
Molecular Structure | Hazard Symbols | C | |
Synonyms |
Aceticacid, bromo-, propyl ester (9CI);Bromoacetic acid propyl ester;Propylbromoacetate; |
Article Data | 9 |
The Propyl bromoacetate, with the cas registry number 51865-84-0, is also called acetic acid, 2-bromo-, propyl ester. It is a kind of clear colorless liquid, and the molecular formula of the chemical is C5H9BrO2.
The characteristics of this chemical are as followings: (1)ACD/LogP: 1.90; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.9; (4)ACD/LogD (pH 7.4): 1.9; (5)ACD/BCF (pH 5.5): 16.4; (6)ACD/BCF (pH 7.4): 16.4; (7)ACD/KOC (pH 5.5): 257.7; (8)ACD/KOC (pH 7.4): 257.7; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.455; (14)Molar Refractivity: 34.71 cm3; (15)Molar Volume: 127.7 cm3; (16)Polarizability: 13.76×10-24cm3; (17)Surface Tension: 33.7 dyne/cm; (18)Density: 1.417 g/cm3; (19)Flash Point: 82.2 °C; (20)Enthalpy of Vaporization: 41.36 kJ/mol; (21)Boiling Point: 177.3 °C at 760 mmHg; (22)Vapour Pressure: 1.05 mmHg at 25°C.
You should be cautious while dealing with this chemical. It irritates to eyes and respiratory system, and may causes burns. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection; In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice; In case of accident or if you feel unwell, seek medical advice immediately (show label where possible); Take off immediately all contaminated clothing.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: BrCC(=O)OCCC
(2)InChI: InChI=1/C5H9BrO2/c1-2-3-8-5(7)4-6/h2-4H2,1H3
(3)InChIKey: ISYUCUGTDNJIHV-UHFFFAOYAB