4-Chloro-3-hydroxybutanenitrile
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4-Chloro-3-hydroxybutanenitrile
structure -
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CAS No:
105-33-9
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Formula:
C4H6ClNO
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Chemical Name:
4-Chloro-3-hydroxybutanenitrile
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Synonyms:
Butanenitrile,4-chloro-3-hydroxy-;Butyronitrile,4-chloro-3-hydroxy-;4-Chloro-3-hydroxybutanenitrile;4-Chloro-3-hydroxybutyronitrile;γ-Chloro-β-hydroxybutyronitrile;1-Chloro-3-cyano-2-propanol;637-75-2
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CAS No:
Characteristics
44.02000
-0.22
1.2515 g/cm3 @ Temp: 22 °C
138-141 °C @ Press: 18 Torr
126.9±21.8 °C
1.464
Safety Information
P260, P261, P264, P270, P271, P272, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P307+P311, P311, P312, P321, P322, P330, P332+P313, P333+P313, P337+P313, P361, P362, P363, P403+P233, P405, P501
H301
|Danger|H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]|P260, P261, P264, P270, P271, P272, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P307+P311, P311, P312, P321, P322, P330, P332+P313, P333+P313, P337+P313, P361, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 55 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:119.55
XLogP3:-0.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:119.0137915
Monoisotopic Mass:119.0137915
Topological Polar Surface Area:44
Heavy Atom Count:7
Complexity:84.9
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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