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| CAS No.: | 4753-59-7 | ||||||||
|---|---|---|---|---|---|---|---|---|---|
| Name: | 4-Bromobutyl acetate | ||||||||
| Article Data: | 46 | ||||||||
| Molecular Structure: | |||||||||
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| Formula: | C6H11 Br O2 | ||||||||
| Molecular Weight: | 195.056 | ||||||||
| Synonyms: | 1-Butanol,4-bromo-, acetate (6CI,7CI,8CI,9CI); 1-Acetoxy-4-bromobutane;4-Acetoxy-1-bromobutane; 4-Acetoxybutyl bromide; 4-Bromo-1-acetoxybutane;4-Bromo-1-butanol acetate; 4-Bromo-1-butyl acetate; 4-Bromobutyl acetate;Acetic acid 4-bromobutyl ester; NSC 33919 | ||||||||
| EINECS: | 225-277-7 | ||||||||
| Density: | 1.348 | ||||||||
| Boiling Point: | 92-93 ºC (12 mmHg) | ||||||||
| Flash Point: | 109 ºC | ||||||||
| Solubility: | insoluble | ||||||||
| Appearance: | clear colourless to slightly yellow liquid | ||||||||
| Hazard Symbols: |
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| Risk Codes: | R36/37/38 | ||||||||
| Safety: |
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| PSA: | 26.30000 | ||||||||
| LogP: | 1.72460 | ||||||||
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Chemistry
Molecular Structure of 1-Butanol, 4-bromo-,1-acetate (CAS NO.4753-59-7):
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IUPAC Name: 4-bromobutyl acetate
Empirical Formula: C6H11BrO2
Molecular Weight: 195.0543
H bond acceptors: 2
H bond donors: 0
Freely Rotating Bonds: 5
Polar Surface Area: 26.3 Å2
Index of Refraction: 1.457
Molar Refractivity: 39.35 cm3
Molar Volume: 144.2 cm3
Surface Tension: 33.7 dyne/cm
Density: 1.352 g/cm3
Flash Point: 109.4 °C
Enthalpy of Vaporization: 44.76 kJ/mol
Boiling Point: 211.3 °C at 760 mmHg
Vapour Pressure: 0.184 mmHg at 25°C
Boiling point: 92-93 ºC (12 mmHg)
Water solubility: insoluble
BRN: 1749695
InChI
InChI=1/C6H11BrO2/c1-6(8)9-5-3-2-4-7/h2-5H2,1H3
Smiles
O=C(OCCCCBr)C
EINECS: 225-277-7
Product Categories: C6 to C7; Carbonyl Compounds; Esters
Safety Profile
Hazard Codes: 
Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 37/39-26
S37/39:Wear suitable gloves and eye/face protection.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
WGK Germany: 3
Specification
1-Butanol, 4-bromo-,1-acetate , with CAS number of 4753-59-7, can be called 4-bromo-1-butanoacetate ; 4-acetoxy-1-bromobutane ; 4-bromobutyl acetate ; 4-bromo-n-butyl acetate ; 1-acetoxy-4-bromobutane ; acetic acid 4-bromobutyl ester ; 4-bromo-1-butanol acetate ; 4-bromobutyl acetate, 98+% . It is a clear colourless to slightly yellow liquid.