B-[2-(Methylsulfinyl)phenyl]boronic acid
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![B-[2-(Methylsulfinyl)phenyl]boronic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/05e54762e96c49498f26d07d7b7595ec.png "B-[2-(Methylsulfinyl)phenyl]boronic acid")
B-[2-(Methylsulfinyl)phenyl]boronic acid
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CAS No:
850567-97-4
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Formula:
C7H9BO3S
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Chemical Name:
B-[2-(Methylsulfinyl)phenyl]boronic acid
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Synonyms:
Boronic acid,B-[2-(methylsulfinyl)phenyl]-;Boronic acid,[2-(methylsulfinyl)phenyl]-;B-[2-(Methylsulfinyl)phenyl]boronic acid;2-Methylsulfinylphenylboronic acid
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CAS No:
Characteristics
76.74000
-0.03050
1.37±0.1 g/cm3
118-122°C
440.5±47.0 °C(Predicted)
220.2ºC
1.616
Slightly soluble in water.
8.46±0.58
Safety Information
IRRITANT
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|Aggregated GHS information provided by 6 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:184.03
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:184.0365455
Monoisotopic Mass:184.0365455
Topological Polar Surface Area:76.7
Heavy Atom Count:12
Complexity:174
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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