Basic information
- CAS
17459-03-9- Standard SMILES
CN(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1- InChIKey
ZCWXRMBVAKOURU-UHFFFAOYSA-N- Molecular formula
- C8H10N2O4S
- Average molar mass
- 230.24 g/mol
- Monoisotopic mass
- 230.0361278
Names & identifiers
- Preferred name
- N,N-dimethyl-4-nitrobenzenesulfonamide
- IUPAC
- N,N-dimethyl-4-nitrobenzenesulfonamide
- English name
- N1,N1-Dimethyl-4-nitrobenzene-1-sulfonamide
- Molecular formula
- C8H10N2O4S
- Molecular weight
- 230.24
Names & synonyms
N,N-dimethyl-4-nitrobenzenesulfonamide17459-03-9DTXSID80372671RefChem:359311DTXCID20323703N1,N1-dimethyl-4-nitrobenzene-1-sulfonamideMFCD00277215N,N-dimethyl-4-nitrobenzene-1-sulfonamide4-(N,N-Dimethylaminosulfonyl)nitrobenzeneOprea1_081874SCHEMBL1164063ZCWXRMBVAKOURU-UHFFFAOYSA-N
Show more names
N-(4-NITROPHENYLSULFONYL)DIMETHYLAMINEBenzenesulfonamide, N,N-dimethyl-4-nitro-
SBB097595AKOS002968950dimethyl[(4-nitrophenyl)sulfonyl]amineSB77098N,N-Dimethyl-4-nitro-benzenesulfonamide4-nitrobenzenesulphonic acid-dimethylamideAS-65908DB-361229
Database identifiers
- CAS
17459-03-9- PubChem CID
- 2747580
- DTXSID
DTXSID80372671- EC Number
- 112-589-2
- Nikkaji
- J2.648.168F
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 91.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 320
Physicochemical properties
- Melting point
- 154 · 154-155 °C
- Boiling point
- 371.3 · 371.3±44.0 °C(Predicted)
- Density
- 1.38 · 1.380±0.06 g/cm3(Predicted)
- pka
- -5.99 · -5.99±0.70(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
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
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (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 CategoriesEye Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers18 total
成都添福瑞生物科技有限公司18030648795 18030648795 · [email protected]
烟台正信新材料科技有限公司13854547682 13854547682 · [email protected]
无锡丽恒昇生物医药科技有限公司15250805028 15250805028 · [email protected]
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
上海贤鼎生物科技有限公司4009209199 · [email protected]
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
北京建强伟业科技有限公司（FUSION弗珍试剂品牌）0531-88924771 15614660963 · [email protected]
烟台盛凯伦化学科技有限公司13356901049 · [email protected]
成都福瑞斯特科技发展有限公司028-87925786 18010564218 · [email protected]
北京博森诺康医药科技有限公司010-86203349 18201082367 · [email protected]
Related reactions
7 records
Compound notes
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