3-(METHYLSULFONYL)BENZOICACID
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3-(METHYLSULFONYL)BENZOICACID
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CAS No:
5345-27-7
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Formula:
C8H8O4S
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Chemical Name:
3-(METHYLSULFONYL)BENZOICACID
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Synonyms:
3-Methylsulfonyl;RARECHEM AL BO 2292;TIMTEC-BB SBB005804;3-(METHYLSULFONYL)B;3-Mesylbenzoic acid;m-Methylsulfonylbenzoic acid;3-METHYLSULPHONYLBENZOIC ACID;3-(METHYLSULFONYL)BENZOIC ACID;3-Methanesulfonyl-benzoic acid;3-Carboxyphenyl methyl sulphone
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CAS No:
Characteristics
79.8
0.6
White to very slightly yellow Powder
1.4±0.1 g/cm3
230-238 °C
230-238°C
230.7±26.5 °C
1.560
Safety Information
41
24/25-39-26
Xi
Irritant
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501
H315
|Danger|H315 (17.39%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 46 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:200.21
XLogP3:0.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:200.01432991
Monoisotopic Mass:200.01432991
Topological Polar Surface Area:79.8
Heavy Atom Count:13
Complexity:288
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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