Basic information
- Standard SMILES
COc1ccccc1NCS(=O)(=O)O- InChIKey
WJORFFDFYBZRJH-UHFFFAOYSA-N- Molecular formula
- C8H11NO4S
- Average molar mass
- 217.24 g/mol
- Monoisotopic mass
- 217.04087883
Names & identifiers
- Preferred name
- o-Anisidyl-N-methanesulfonic acid
- IUPAC
- (2-methoxyanilino)methanesulfonic acid
- English name
- [(2-methoxyphenyl)amino]methanesulphonic acid
- Molecular formula
- C8H11NO4S
- Molecular weight
- 217.24
Names & synonyms
o-Anisidinomethanesulfonic acid93-13-0O-Anisidyl-N-methanesulfonic acidMethanesulfonic acid, o-anisidino-06AHF6RL82[(2-METHOXYPHENYL)AMINO]METHANESULPHONIC ACIDHSDB 5282((2-Methoxyphenyl)amino)methanesulfonic acidNSC 7549NSC-7549EINECS 202-220-4Methanesulfonic acid, ((2-methoxyphenyl)amino)-
Show more names
(2-methoxyanilino)methanesulfonic acid(2-methoxyphenylamino)methanesulfonic acid
Methanesulfonic acid, [(2-methoxyphenyl)amino]-Methanesulfonic acid, 1-((2-methoxyphenyl)amino)-2-METHOXYANILINOMETHANESULFONIC ACID((2-Methoxyphenyl)amino)methanesulphonic acid((2-METHOXYPHENYL)AMINO)METHANESULPHONIC ACID [HSDB]Methanesulfonic acid, 1-[(2-methoxyphenyl)amino]-RefChem:855195oAnisidinomethanesulfonic acid
Database identifiers
- CAS
93-13-0- PubChem CID
- 7126
- DTXSID
DTXSID0059081- UNII
- 06AHF6RL82
- EC Number
- 202-220-4
- Nikkaji
- J182.090G
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 84 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 259
Experimental & physicochemical properties
Chemical ClassesNitrogen Compounds -> Other Aromatics (Nitrogen)
Physicochemical properties
- Density
- 1.434 · 1.434±0.06 g/cm3(Predicted)
- pka
- -1.09 · -1.09±0.50(Predicted)
- FDA UNII
- 6 AHF6RL82 · 06AHF6RL82
- EPA Substance Registry System
- Methanesulfonic acid, [(2-methoxyphenyl)amino]- (93-13-0)
- Symbol(GHS)
- 8 · GHS08
- Signal word
- Danger
- Hazard statements
- 317 · H317-H350
- Precautionary statements
- 261 · P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
- TSCA
- TSCA listed
- Hazardous Substances Data
- 93 · 93-13-0(Hazardous Substances Data)
- REACH Registrations
- Active
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 77.8% (7 of 9) of all reports.
Danger
H317 (11.1%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P203, P261, P272, P280, P302+P352, P318, P321, P333+P317, P362+P364, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 9 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationREACH registered substance: [(2-methoxyphenyl)amino]methanesulphonic acid (EC: 202-220-4)
Hazard Classes and CategoriesSkin Sens. 1 (11.1%)
Safety data
- tsca
- TSCA listed
- Signal word
- Danger
- Symbol(GHS)
- GHS08
- Hazard statements
- H317-H350
- REACH Registrations
- Active
- Precautionary statements
- P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
- Hazardous Substances Data
- 93-13-0(Hazardous Substances Data)
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationMethanesulfonic acid, 1-[(2-methoxyphenyl)amino]-: INACTIVE
Upstream & downstream products
Downstream products
Suppliers2 total
Alfa Chemistry+1-5166625404 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Linked notes
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