2-Methanesulfonyl-4-methylaniline
Basic information
- CAS
4284-63-3- Standard SMILES
Cc1ccc(N)c(S(C)(=O)=O)c1- InChIKey
KYZYZYOWGLRKLJ-UHFFFAOYSA-N- Molecular formula
- C8H11NO2S
- Average molar mass
- 185.25 g/mol
- Monoisotopic mass
- 185.05104977
Names & identifiers
- Preferred name
- 2-Methanesulfonyl-4-methylaniline
- IUPAC
- 4-methyl-2-methylsulfonylaniline
- English name
- 2-methanesulfonyl-4-methylaniline
- Molecular formula
- C8H11NO2S
- Molecular weight
- 185.24
Names & synonyms
4284-63-32-methanesulfonyl-4-methylanilineRefChem:474080873-656-64-methyl-2-(methylsulfonyl)aniline4-methyl-2-methylsulfonylanilineSCHEMBL20150187SCHEMBL309084094-methyl-2-methylsulfonyl-anilineEAA28463AKOS017529421EN300-248517
Show more names
4-Methyl-2-(methylsulfonyl)benzenamineBenzenamine, 4-methyl-2-(methylsulfonyl)-
F521092A1-43245F9994-0392Z1262638090
Database identifiers
- CAS
4284-63-3- PubChem CID
- 79006183
- EC Number
- 873-656-6
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 68.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 242
Physicochemical properties
- Melting point
- 78 · 78.0-78.5 °C
- Boiling point
- 390.4 · 390.4±42.0 °C(Predicted)
- Density
- 1.236 · 1.236±0.06 g/cm3(Predicted)
- pka
- 0.51 · 0.51±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H312-H332-H315-H302-H319
- Precautionary statements
- 261 · P261-P271-P304+P340-P312-P264-P280-P305+P351+P338-P337+P313P-P280-P302+P352-P312-P322-P363-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501
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 (100%): 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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H335-H312-H332-H315-H302-H319
- Precautionary statements
- P261-P271-P304+P340-P312-P264-P280-P305+P351+P338-P337+P313P-P280-P302+P352-P312-P322-P363-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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