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Cas Database |
| Name |
3-Bromopropionyl chloride |
EINECS | 239-515-2 |
| CAS No. | 15486-96-1 | Density | 1.719 g/cm3 |
| PSA | 17.07000 | LogP | 1.53680 |
| Solubility | REACTS | Melting Point |
N/A |
| Formula | C3H4BrClO | Boiling Point | 156.67 °C at 760 mmHg |
| Molecular Weight | 171.421 | Flash Point | 55.418 °C |
| Transport Information | UN 3265 | Appearance | clear yellow liquid |
| Safety | 23-26-27-36/37/39-45-25 | Risk Codes | 34-36/37 |
| Molecular Structure |
|
Hazard Symbols |
 C
|
| Synonyms |
Propionylchloride, 3-bromo- (6CI,7CI,8CI);3-Bromopropanoic acid chloride;3-Bromopropanoyl chloride;b-Bromopropanoyl chloride;w-Bromopropanoyl chloride; |
Article Data | 36 |
3-Bromopropionyl chloride Synthetic route
- 590-92-1
3-Bromopropionic acid
- 15486-96-1
3-Bromopropionyl chloride
| Conditions | Yield |
|---|---|
| With oxalyl dichloride; N,N-dimethyl-formamide In dichloromethane at 20℃; for 16h; | 100% |
| With thionyl chloride for 8h; Inert atmosphere; Reflux; | 80% |
| With thionyl chloride for 1h; Heating; | 71% |
- 18187-28-5
3-Brompropionsaeure-O-trimethylsilylester
- 15486-96-1
3-Bromopropionyl chloride
| Conditions | Yield |
|---|---|
| With thionyl chloride |
3-Bromopropionyl chloride Chemical Properties
Molecular Structure of Propanoyl chloride,3-bromo- (CAS No.15486-96-1):
Molecular Formula: C3H4BrClO
Molecular Weight: 171.4203
CAS No: 15486-96-1
IUPAC Name: 3-Bromopropanoyl chloride
H bond acceptors: 1
H bond donors: 0
Freely Rotating Bonds: 2
Polar Surface Area: 17.07 Å2
Index of Refraction: 1.484
Molar Refractivity: 28.55 cm3
Molar Volume: 99.7 cm3
Surface Tension: 37.7 dyne/cm
Density: 1.718 g/cm3
Flash Point: 55.4 °C
Enthalpy of Vaporization: 39.34 kJ/mol
Boiling Point: 156.7 °C at 760 mmHg
Vapour Pressure: 2.86 mmHg at 25°C
InChI: InChI=1/C3H4BrClO/c4-2-1-3(5)6/h1-2H2
InChIKey: IHBVNSPHKMCPST-UHFFFAOYAZ
Std. InChI: InChI=1S/C3H4BrClO/c4-2-1-3(5)6/h1-2H2
Std. InChIKey: IHBVNSPHKMCPST-UHFFFAOYSA-N
Classification Code:TSCA Flag P [A commenced PMN (Premanufacture Notice) substance]
Product Categories: Acid Halides;Carbonyl Compounds;Organic Building Blocks
3-Bromopropionyl chloride Safety Profile
Hazard Codes: 
C
Risk Statements: 34-36/37
R34:Causes burns.
R36/37:Irritating to eyes and respiratory system.
Safety Statements: 23-26-27-36/37/39-45-25
S23:Do not breathe vapour.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
S25:Avoid contact with eyes.
RIDADR: UN 3265 8/PG 2
WGK Germany: 3
HazardClass: 8
PackingGroup: III
3-Bromopropionyl chloride Specification
Propanoyl chloride,3-bromo- (CAS No.15486-96-1), its synonyms are 3-bromo-propanoylchlorid ; 3-Bromopropionyl chloride ; B-bromopropionyl chloride ; 3-Bromopropionyl chloride:ss-bromopropionyl chloride ; B-bromopropanoyl chloride
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