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| CAS No.: | 82820-87-9 |
|---|---|
| Name: | 2,4-Dibromobutyryl chloride |
| Article Data: | 10 |
| Molecular Structure: | |
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| Formula: | C4H5Br2ClO |
| Molecular Weight: | 264.344 |
| Synonyms: | 2,4-Dibromobutanoylchloride;2,4-Dibromobutyryl chloride; |
| Density: | 2.036 g/cm3 |
| Boiling Point: | 235.5 °C at 760 mmHg |
| Flash Point: | 96.2 °C |
| Hazard Symbols: |
 C
|
| Risk Codes: | 14-34-42/43 |
| Safety: | 23-26-36/37/39-45 |
| Transport Information: | UN 3265 8/PG 2 |
| PSA: | 17.07000 |
| LogP: | 2.30030 |
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Specification
The CAS register number of 2,4-Dibromobutyryl chloride is 82820-87-9. It also can be called as Butanoyl chloride,2,4-dibromo- and the systematic name about this chemical is 2,4-dibromobutanoyl chloride. The molecular formula about this chemical is C4H5Br2ClO and the molecular weight is 264.34. It belongs to the following product categories, such as Acid Halides; Carbonyl Compounds; Organic Building Blocks and so on.
Physical properties about 2,4-Dibromobutyryl chloride are: (1)ACD/LogP: 2.75; (2)ACD/LogD (pH 5.5): 2.75; (3)ACD/LogD (pH 7.4): 2.75; (4)ACD/BCF (pH 5.5): 72.01; (5)ACD/BCF (pH 7.4): 72.01; (6)ACD/KOC (pH 5.5): 743.27; (7)ACD/KOC (pH 7.4): 743.27; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 17.07Å2; (11)Index of Refraction: 1.542; (12)Molar Refractivity: 40.88 cm3; (13)Molar Volume: 129.8 cm3; (14)Polarizability: 16.2x10-24cm3; (15)Surface Tension: 45.1 dyne/cm; (16)Enthalpy of Vaporization: 47.23 kJ/mol; (17)Boiling Point: 235.5 °C at 760 mmHg; (18)Vapour Pressure: 0.0498 mmHg at 25°C.
Preparation: this chemical can be prepared by 2,4-dibromo-butyric acid. This reaction will need reagent SOCl2 at heating.
Uses of 2,4-Dibromobutyryl chloride: it can be used to produce N-n-butyl-2,4-dibromobutyramide with butylamine at ambient temperature. This reaction will need reagent Et3N and solvent ethyl ether with reaction time of 2 hours. The yield is about 91%.
When you are using this chemical, please be cautious about it as the following:
This chemical may cause sensitization by inhalation and skin contact, it can reacts violently with water and it also can cause burns. When you are using it, wear suitable protective clothing, gloves and eye/face protection, you also need do not breathe vapour. 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(Cl)=O)CCBr
(2)InChI: InChI=1/C4H5Br2ClO/c5-2-1-3(6)4(7)8/h3H,1-2H2
(3)InChIKey: WYZLYWUZERABRL-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C4H5Br2ClO/c5-2-1-3(6)4(7)8/h3H,1-2H2
(5)Std. InChIKey: WYZLYWUZERABRL-UHFFFAOYSA-N