Basic information
- CAS
51859-12-2- Standard SMILES
CS(=O)(=O)c1cc(N)cc(S(C)(=O)=O)c1- InChIKey
DLJOVNXLPVHDMZ-UHFFFAOYSA-N- Molecular formula
- C8H11NO4S2
- Average molar mass
- 249.3 g/mol
- Monoisotopic mass
- 249.01295018
Names & identifiers
- Preferred name
- 3,5-Bis(methylsulfonyl)aniline
- IUPAC
- 3,5-bis(methylsulfonyl)aniline
- English name
- 3,5-Bis(methylsulfonyl)aniline
- Molecular formula
- C8H11NO4S2
- Molecular weight
- 249.31
Names & synonyms
3,5-bis(methylsulfonyl)aniline51859-12-2DTXSID40352878RefChem:271493DTXCID00303942674-420-33,5-bis(methylsulphonyl)aniline3,5-dimethanesulfonylanilineMFCD014641213,5-bis(methylsulfonyl)phenylamineSCHEMBL26510773,5-Di(methanesulfonyl)aniline
Show more names
3,5-Bis(methylsulphonyl)aniline 95+%Benzenamine, 3,5-bis(methylsulfonyl)-
DLJOVNXLPVHDMZ-UHFFFAOYSA-NSBB100594AKOS015852539PS-5938DB-105201CS-0207090AE-562/12222984F023674
Database identifiers
- CAS
51859-12-2- PubChem CID
- 735907
- DTXSID
DTXSID40352878- EC Number
- 674-420-3
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 375
Physicochemical properties
- Melting point
- 202 · 202~205℃
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H312-H315-H319-H332-H335
- Precautionary statements
- 233 · P233-P260-P261-P264-P270-P271-P280-P301+P312-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P322-P330-P332+P313-P337+P313-P340-P362-P363-P403-P403+P233-P405-P501
- HS Code
- 2921420090 · 2921420090
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 (50%): 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 2 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 CategoriesAcute Tox. 4 (50%)
Safety data
- hs_code
- 2921420090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H312-H315-H319-H332-H335
- Precautionary statements
- P233-P260-P261-P264-P270-P271-P280-P301+P312-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P322-P330-P332+P313-P337+P313-P340-P362-P363-P403-P403+P233-P405-P501
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers4 total
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
Clearsynth Labs Limited+91-22-26355700 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
2 records
Compound notes
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