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CAS No.: | 3017-95-6 |
---|---|
Name: | 2-BROMO-1-CHLOROPROPANE |
Article Data: | 19 |
Molecular Structure: | |
Formula: | C3H6BrCl |
Molecular Weight: | 157.438 |
Synonyms: | 1-Chloro-2-bromopropane;NSC 8022; |
EINECS: | 221-157-3 |
Density: | 1.528 g/cm3 |
Boiling Point: | 115.3 °C at 760 mmHg |
Flash Point: | 27.5 °C |
Solubility: | insoluble in water |
Appearance: | colorless odorless liquid |
Hazard Symbols: | Xn; T |
Risk Codes: | 20/21/22-36/37/38-39/23/24/25 |
Safety: | 26-45-36/37 |
PSA: | 0.00000 |
LogP: | 2.00860 |
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The CAS registry number of Propane,2-bromo-1-chloro- is 3017-95-6. Its EINECS registry number is 221-157-3. The IUPAC name is 2-bromo-1-chloropropane. In addition, the molecular formula is C3H6BrCl and the molecular weight is 157.44. What's more, it is colourless liquid which is insoluble in water. And it is incompatible with strong oxidizing agents.
Physical properties about this chemical are: (1)ACD/LogP: 1.96; (2)ACD/LogD (pH 5.5): 1.96; (3)ACD/LogD (pH 7.4): 1.96; (4)ACD/BCF (pH 5.5): 18.15; (5)ACD/BCF (pH 7.4): 18.15; (6)ACD/KOC (pH 5.5): 277.2; (7)ACD/KOC (pH 7.4): 277.2 ; (8)#Freely Rotating Bonds: 1; (9)Index of Refraction: 1.465; (10)Molar Refractivity: 28.48 cm3; (11)Molar Volume: 102.9 cm3; (12)Polarizability: 11.29 ×10-24cm3; (13)Surface Tension: 29.2 dyne/cm; (14)Density: 1.528 g/cm3; (15)Flash Point: 27.5 °C; (16)Enthalpy of Vaporization: 33.91 kJ/mol; (17)Boiling Point: 115.3 °C at 760 mmHg; (18)Vapour Pressure: 22.7 mmHg at 25°C.
Preparation of Propane,2-bromo-1-chloro-: it can be prepared by 3-chloro-propene. The other products are 1,2-dibromo-propane, 1-bromo-2-chloro-propane and 3-bromo-propene. This reaction will need reagent HBr, catalyst FeBr3 and solvent CH2Cl2. The reaction time is 0.5 hour at reaction temperature of 25 °C. The yield is about 28%.
When you are using this chemical, please be cautious about it as the following:
This chemical is harmful by inhalation, in contact with skin and if swallowed. It is irritating to eyes, respiratory system and skin. In addition, it has danger of very serious irreversible effects through inhalation. During using it, wear suitable protective clothing and gloves. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. And in case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.).
You can still convert the following datas into molecular structure:
(1)SMILES: BrC(C)CCl
(2)InChI: InChI=1/C3H6BrCl/c1-3(4)2-5/h3H,2H2,1H3
(3)InChIKey: PUJJZGFFAQHYEX-UHFFFAOYAZ