Basic information
- CAS
3405-89-8- Standard SMILES
O=C(O)CS(=O)(=O)c1ccc(Cl)cc1- InChIKey
IAONCYGNBVHNCT-UHFFFAOYSA-N- Molecular formula
- C8H7ClO4S
- Average molar mass
- 234.66 g/mol
- Monoisotopic mass
- 233.9753576
Names & identifiers
- Preferred name
- 2-(4-Chlorobenzenesulfonyl)acetic acid
- IUPAC
- 2-(4-chlorophenyl)sulfonylacetic acid
- English name
- 2-[(4-Chlorophenyl)sulfonyl]acetic acid
- Molecular formula
- C8H7ClO4S
- Molecular weight
- 234.66
Names & synonyms
2-(4-chlorobenzenesulfonyl)acetic acidRefChem:457263681-972-93405-89-82-[(4-Chlorophenyl)Sulfonyl]Acetic Acid2-((4-chlorophenyl)sulfonyl)acetic acid2-(4-chlorophenyl)sulfonylacetic acid[(4-chlorophenyl)sulfonyl]acetic acid(4-Chloro-benzenesulfonyl)-acetic acidMFCD00201948F0722-02584-Chlorophenylsulfonylacetic acid
Show more names
AKOS BBS-00002849IFLAB-BB F0722-0258TIMTEC-BB SBB008563RARECHEM AL BO 0476(4-CHLOROBENZENESULPHONYL)ACETIC ACID2-[(4-Chlorophenyl)sulfony]Acetic Acid2-(4-chlorophenyl)sulfonylethanoic acid
Acetic acid, [(4-chlorophenyl)sulfonyl]-NSC203148Cambridge id 5493053SCHEMBL3671530DTXSID002756104-chlorophenyl sulfonylacetic acidIAONCYGNBVHNCT-UHFFFAOYSA-NSMSSF-0060485
Database identifiers
- CAS
3405-89-8- PubChem CID
- 55680
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 79.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 298
Physicochemical properties
- Melting point
- 121 · 121-123°C
- CAS DataBase Reference
- 3405 · 3405-89-8(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
- HazardClass
- IRRITANT
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers20 total
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
南京世洲生物科技有限公司025-025-85560043 17301488900 · [email protected]
Aladdin Scientific[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [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]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
上海纳谦化学科技有限公司13598610367 13598610367 · [email protected]
上海景容化学科技有限公司021-60546673 13701861782 · [email protected]
Related reactions
22 records
Compound notes
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