2-[(4-Nitrophenyl)thio]ethanol
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![2-[(4-Nitrophenyl)thio]ethanol structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/06051c8d8168491fb5ed52598ca3e59b.png "2-[(4-Nitrophenyl)thio]ethanol")
2-[(4-Nitrophenyl)thio]ethanol
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CAS No:
13287-76-8
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Formula:
C8H9NO3S
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Chemical Name:
2-[(4-Nitrophenyl)thio]ethanol
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Synonyms:
Ethanol,2-[(4-nitrophenyl)thio]-;Ethanol,2-[(p-nitrophenyl)thio]-;2-[(4-Nitrophenyl)thio]ethanol;2-Hydroxyethyl p-nitrophenyl sulfide;2-[(p-Nitrophenyl)thio]ethanol;4-Nitrophenyl 2-hydroxyethyl sulfide;2-Hydroxyethyl 4-nitrophenyl sulfide;2-(4-Nitrophenylthio)ethanol;2-[(4-Nitrophenyl)sulfanyl]ethan-1-ol;2-(4-Nitrophenyl)sulfanylethanol;2-[(4-Nitrophenyl)sulfanyl]ethanol
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CAS No:
Characteristics
91.35000
2.20240
1.35±0.1 g/cm3
86 °C
370.2±27.0 °C(Predicted)
177.7ºC
1.621
3.92E-06mmHg at 25°C
14.25±0.10
Safety Information
IRRITANT, IRRITANT-HARMFUL, STENCH
36/37/38
26-36/37/39
Xi
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, 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:199.23
XLogP3:1.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:199.03031432
Monoisotopic Mass:199.03031432
Topological Polar Surface Area:91.4
Heavy Atom Count:13
Complexity:163
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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