Basic information
- CAS
205985-95-1- Standard SMILES
CS(=O)(=O)c1ccccc1N- InChIKey
AUSRSVRJOXYXMI-UHFFFAOYSA-N- Molecular formula
- C7H9NO2S
- Average molar mass
- 171.22 g/mol
- Monoisotopic mass
- 171.03539953
Names & identifiers
- Preferred name
- 2-Methanesulfonylaniline
- IUPAC
- 2-methylsulfonylaniline
- English name
- 2-(Methylsulfonyl)aniline
- Molecular formula
- C7H9NO2S
- Molecular weight
- 171.22
Names & synonyms
2-methanesulfonylanilineRefChem:474090963-704-52-(methylsulfonyl)aniline2987-49-72-methylsulfonylaniline2-(methylsulfonyl)benzenamineMFCD084443902-(Methanesulfonyl)anilineBenzenamine, 2-(methylsulfonyl)-2-(methylsulfonyl)phenylamine2-methanesulfonyl-phenylamine
Show more names
2-(Methylsulphonyl)aniline2-(Methylsulphonyl)aniline99%
DTXSID909427882-Aminophenyl methyl sulphoneNSC55747(2-Mesylphenyl)amine2-(Methylsulphonyl)an2-Methyl-sulfonylanilinaniline, 2-methylsulphonyl-2-(Methanesulfonyl)anilinato
Database identifiers
- CAS
205985-95-1、2987-49-7- PubChem CID
- 244659
- DTXSID
DTXSID90942788- EC Number
- 963-704-5
- Nikkaji
- J424.514H
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 68.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 217
Physicochemical properties
- Melting point
- 85 · 85-92 °C
- Boiling point
- 377.1 · 377.1±34.0 °C(Predicted)
- Density
- 1.282 · 1.282±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C(protect from light)
- form
- crystalline powder
- pka
- 0.07 · 0.07±0.10(Predicted)
- color
- Off-white/faint cream
- InChI
- InChI=1S/C7H9NO2S/c1-11(9,10)7-5-3-2-4-6(7)8/h2-5H,8H2,1H3
- InChIKey
- AUSRSVRJOXYXMI-UHFFFAOYSA-N
- SMILES
- C1(N)=CC=CC=C1S(C)(=O)=O
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
- 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 (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
- hs_code
- 2921420090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Suppliers64 total
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
上海策嵘生物科技有限公司[email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
Sichuan Biosynce Pharmatech Co., Ltd.[email protected]
Henan Rane Chemical Co., Ltd.+86-18738066252 · [email protected]
上海凌凯科技股份有限公司58950110 13124863828 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
Aladdin Scientific[email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
上海辅欣医药科技有限公司+86-021-021-50872116 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
江苏药恒医药科技有限公司13524761129 · [email protected]
成都添福瑞生物科技有限公司18030648795 18030648795 · [email protected]
Related reactions
10 records
Compound notes
Loading…