Basic information
- CAS
33963-55-2- Standard SMILES
CS(=O)(=O)c1ccccc1C(=O)O- InChIKey
BZSXEZOLBIJVQK-UHFFFAOYSA-N- Molecular formula
- C8H8O4S
- Average molar mass
- 200.21 g/mol
- Monoisotopic mass
- 200.01432974
Names & identifiers
- Preferred name
- 2-Methanesulfonylbenzoic acid
- IUPAC
- 2-methylsulfonylbenzoic acid
- English name
- 2-(Methylsulfonyl)benzoic Acid
- Molecular formula
- C8H8O4S
- Molecular weight
- 200.21
Names & synonyms
2-methanesulfonylbenzoic acidRefChem:474093629-996-02-(methylsulfonyl)benzoic acid33963-55-22-methylsulfonylbenzoic acid2-methanesulfonyl-benzoic acid2-(methylsulfonyl)benzenecarboxylic acidMFCD002164922-(methylsulphonyl)benzoic acid2-(Methanesulfonyl)benzoic acidF2167-2593
Show more names
AKOS 93573TIMTEC-BB SBB0058032-methylsulfonylbenzoicaci2-Methylsulphonylbenzoic acid,95%2-(Methylsulphonyl)benzoicacid98%2-(Methylsulphonyl)benzoic acid 98%
Benzoic acid, 2-(methylsulfonyl)-2-methanesulfonyl benzoic acidmethylsulfonylbenzoic acid2-(Methylsulfonyl)benzoicAcido-mesylbenzoic acidNSC140153Maybridge3_0031692-methylsulphonylbenzoic acid
Database identifiers
- CAS
33963-55-2- PubChem CID
- 284342
- DTXSID
DTXSID20300953- EC Number
- 629-996-0
- Nikkaji
- J2.353.020A
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 79.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 288
Physicochemical properties
- Melting point
- 136 · 136-141 °C
- Boiling point
- 307.93 °C · 307.93°C (rough estimate)
- Density
- 1.4787 · 1.4787 (rough estimate)
- refractive index
- 1.55 · 1.5500 (estimate)
- storage temp.
- Store at room temperature
- form
- Powder and/or Chunks
- color
- White to light yellow or light green
- CAS DataBase Reference
- 33963 · 33963-55-2(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38-41
- Safety Statements
- 37 · 37/39-26-36/37/39
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (12.5%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 8 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (12.5%)
Safety data
- hs_code
- 29163990
- risk_code
- 36/37/38-41
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 37/39-26-36/37/39
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Suppliers60 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
上海策嵘生物科技有限公司[email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
上海凌凯科技股份有限公司58950110 13124863828 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
韶远科技（上海）有限公司4000665055 · [email protected]
Syntechem Co.,Ltd[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
Related reactions
23 records
Compound notes
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