Basic information
- CAS
98-40-8- Standard SMILES
CCNc1cc(S(=O)(=O)O)ccc1C- InChIKey
AHAFWLDHQAFWFO-UHFFFAOYSA-N- Molecular formula
- C9H13NO3S
- Average molar mass
- 215.27 g/mol
- Monoisotopic mass
- 215.06161428
Names & identifiers
- Preferred name
- 2-(Ethylamino)toluene-4-sulfonic acid
- IUPAC
- 3-(ethylamino)-4-methylbenzenesulfonic acid
- English name
- 2-(ethylamino)toluene-4-sulphonic acid
- Molecular formula
- C9H13NO3S
- Molecular weight
- 215.26942
Names & synonyms
3-(ethylamino)-4-methylbenzenesulfonic acid98-40-82-(Ethylamino)toluene-4-sulphonic acidL783G73YVMEINECS 202-664-92-(ETHYLAMINO)TOLUENE-4-SULFONIC ACIDDTXSID30243362Benzenesulfonic acid, 3-(ethylamino)-4-methyl-3-(ETHYLAMINO)-4-METHYLBENZENESULPHONIC ACIDBENZENESULPHONIC ACID, 3-(ETHYLAMINO)-4-METHYL-RefChem:460942DTXCID30165853
Show more names
N-ETHYL-4-METHYLMETANILIC ACID3-Ethylamino-p-toluolsulfonsure3-Ethylamino-4-methylbenzenesulfonic acid3-(ETHYLAMINO)-4-METHYL-BENZENESULPHONICACID
202-664-96331-69-73-(ethylamino)-4-methylbenzene-1-sulfonic acid3-ethylamino-4-methyl-benzenesulfonic acidUNII-L783G73YVMSCHEMBL6660835AHAFWLDHQAFWFO-UHFFFAOYSA-NAKOS024334100
Database identifiers
- CAS
98-40-8- PubChem CID
- 66819
- DTXSID
DTXSID30243362- UNII
- L783G73YVM
- EC Number
- 202-664-9
- Nikkaji
- J166.237F
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 74.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 270
Physicochemical properties
- FDA UNII
- 783 G73YVM · L783G73YVM
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 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 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers1 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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