1-Butanol, 4-bromo-, 1-acetate
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1-Butanol, 4-bromo-, 1-acetate
structure -
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CAS No:
4753-59-7
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Formula:
C6H11BrO2
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Chemical Name:
1-Butanol, 4-bromo-, 1-acetate
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Synonyms:
1-Butanol,4-bromo-,1-acetate;1-Butanol,4-bromo-,acetate;4-Bromobutyl acetate;4-Acetoxybutyl bromide;1-Acetoxy-4-bromobutane;4-Acetoxy-1-bromobutane;4-Bromo-1-butyl acetate;4-Bromo-1-acetoxybutane;4-Bromo-1-butanol acetate;NSC 33919;Acetic acid 4-bromobutyl ester
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CAS No:
Characteristics
26.30000
1.84
clear colourless to slightly yellow liquid
1.3771 g/cm3 @ Temp: 19.5 °C
95-96 °C @ Press: 14 Torr
109.4±0.0 °C
1.458
Insoluble
Safety Information
NONH for all modes of transport
3
R36/37/38
S37/39-S26
Xi:Irritant;
P264, P270, P301+P312, P330, P501
H302
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory.
Computed Properties
Molecular Weight:195.05
XLogP3:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:5
Exact Mass:193.99424
Monoisotopic Mass:193.99424
Topological Polar Surface Area:26.3
Heavy Atom Count:9
Complexity:83.1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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