1-Butoxy-3-chloro-2-propanol
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1-Butoxy-3-chloro-2-propanol
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CAS No:
16224-33-2
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Formula:
C7H15ClO2
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Chemical Name:
1-Butoxy-3-chloro-2-propanol
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Synonyms:
2-Propanol,1-butoxy-3-chloro-;1-Butoxy-3-chloro-2-propanol;1-Butoxy-2-hydroxy-3-chloropropane;Butyl 3-chloro-2-hydroxypropyl ether;NSC 86961;n-Butyl chlorohydrin ether;1-Chloro-3-butoxypropan-2-ol
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CAS No:
Characteristics
29.5
1.3
1.0444 g/cm3 @ Temp: 25 °C
115 °C @ Press: 20 Torr
98.1ºC
1.4268 (estimate)
0.00745mmHg at 25°C
Oral-rat LD50: 3520 mg/kg
Thermal decomposition to emit toxic chloride fumes
Computed Properties
Molecular Weight:166.64
XLogP3:1.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:6
Exact Mass:166.0760574
Monoisotopic Mass:166.0760574
Topological Polar Surface Area:29.5
Heavy Atom Count:10
Complexity:68.6
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes