2-(METHYLSULFONYL)BENZOIC ACID
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2-(METHYLSULFONYL)BENZOIC ACID
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CAS No:
33963-55-2
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Formula:
C8H8O4S
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Chemical Name:
2-(METHYLSULFONYL)BENZOIC ACID
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Synonyms:
2-(METHYLSULFONYL)BENZOIC ACID;2-(METHYLSULFONYL)BENZENECARBOXYLIC ACID;2-METHYLSULPHONYLBENZOIC ACID;2-METHANESULFONYL-BENZOIC ACID;AKOS 93573;TIMTEC-BB SBB005803;2-(Methylsulphonyl)benzoic acid 98%;2-(Methylsulphonyl)benzoicacid98%
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CAS No:
2-(METHYLSULFONYL)BENZOIC ACID Basic Attributes
200.21
200.014328
223-765-5
140153
DTXSID20300953
29163990
Characteristics
79.82000
0.18
White to light yellow or light green Powder and/or Chunks
1.4±0.1 g/cm3
136-141 °C
307.93°C (rough estimate)
218.6±26.5 °C
1.560
Safety Information
36/37/38-41
37/39-26-36/37/39
Xi
Irritant
|Warning|H302 (12.5%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 8 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:200.21
XLogP3:0.7
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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