1,4-Butanediol, MonoMethanesulfonate
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1,4-Butanediol, MonoMethanesulfonate
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CAS No:
42729-95-3
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Formula:
C5H12O4S
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Chemical Name:
1,4-Butanediol, MonoMethanesulfonate
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Synonyms:
4-methanesulfonyloxybutanol;4-Hydroxybutyl methanesulfonate;NSC 67176;BRN 1858027;1,4-BUTANEDIOL, MONOMETHANESULFONATE;1,4-Butanediolmonomethylsulfonsaeure ester [German];Busulfan Impurity 4;1,4-Butanediolmonomethylsulfonsaeure ester;4-methanesulfonyloxy-butanol
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CAS No:
Safety Information
P201, P202, P261, P264, P270, P271, P280, P281, P301+P310, P302+P352, P304+P340, P305+P351+P338, P308+P313, P311, P312, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P403+P233, P405, P501
H301
|Danger|H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]|P201, P202, P261, P264, P270, P271, P280, P281, P301+P310, P302+P352, P304+P340, P305+P351+P338, P308+P313, P311, P312, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Computed Properties
Molecular Weight:168.21
XLogP3:-0.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:168.04563003
Monoisotopic Mass:168.04563003
Topological Polar Surface Area:72
Heavy Atom Count:10
Complexity:155
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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1,4-Butanediol, MonoMethanesulfonate
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