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| CAS No.: | 126-38-5 |
|---|---|
| Name: | 1-BROMO-2,2-DIMETHOXYPROPANE |
| Molecular Structure: | |
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| Formula: | C5H11BrO2 |
| Molecular Weight: | 183.045 |
| Synonyms: | 2-Propanone,bromo-, dimethyl acetal (6CI,7CI,8CI);1-Bromo-2,2-dimethoxypropane;Bromoacetone dimethyl ketal;1-bromo-2,2-dimethoxypropane;propane, 1-bromo-2,2-dimethoxy-; |
| EINECS: | 204-784-7 |
| Density: | 1.335 g/cm3 |
| Boiling Point: | 154.4 °C at 760 mmHg |
| Flash Point: | 40.6 °C |
| Appearance: | clear light yellow liquid |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 10-36/37/38 |
| Safety: | 16-26-27-36/37/39 |
| Transport Information: | UN 1993 3/PG 3 |
| PSA: | 18.46000 |
| LogP: | 1.39030 |
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Specification
The Propane,1-bromo-2,2-dimethoxy-, with the CAS registry number 126-38-5 and EINECS registry number 204-784-7, has the systematic name and IUPAC name of 1-bromo-2,2-dimethoxypropane. It is a kind of clear light yellow liquid, and belongs to the following product categories: Acetals/Ketals/Ortho Esters; Organic Building Blocks; Oxygen Compounds. And the molecular formula of the chemical is C5H11BrO2.
The characteristics of Propane,1-bromo-2,2-dimethoxy- are as followings: (1)ACD/LogP: 1.46; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.46; (4)ACD/LogD (pH 7.4): 1.46; (5)ACD/BCF (pH 5.5): 7.62; (6)ACD/BCF (pH 7.4): 7.62; (7)ACD/KOC (pH 5.5): 148.95; (8)ACD/KOC (pH 7.4): 148.95; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 18.46 Å2; (13)Index of Refraction: 1.444; (14)Molar Refractivity: 36.4 cm3; (15)Molar Volume: 137 cm3; (16)Polarizability: 14.43×10-24cm3; (17)Surface Tension: 28.8 dyne/cm; (18)Density: 1.335 g/cm3; (19)Flash Point: 40.6 °C; (20)Enthalpy of Vaporization: 37.51 kJ/mol; (21)Boiling Point: 154.4 °C at 760 mmHg; (22)Vapour Pressure: 4.09 mmHg at 25°C.
Uses of Propane,1-bromo-2,2-dimethoxy-: It can react with methylhydrazine to produce 1-acetonyl dimethyl ketal-1-methylhydrazine. The reaction time is 5 days with heating, and the yield is about 59%.
You should be cautious while dealing with this chemical. It is a kind of flammable chemical which irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Keep away from sources of ignition - No smoking; Take off immediately all contaminated clothing; Wear suitable protective clothing, gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: BrCC(OC)(OC)C
(2)InChI: InChI=1/C5H11BrO2/c1-5(4-6,7-2)8-3/h4H2,1-3H3
(3)InChIKey: SGTITUFGCGGICE-UHFFFAOYAM