N-methyl-2'-nitro-p-toluenesulfonanilide
Basic information
- CAS
6892-25-7- Standard SMILES
Cc1ccc(S(=O)(=O)N(C)c2ccccc2[N+](=O)[O-])cc1- InChIKey
HCEKZXBXGWJIFU-UHFFFAOYSA-N- Molecular formula
- C14H14N2O4S
- Average molar mass
- 306.34 g/mol
- Monoisotopic mass
- 306.06742811
Names & identifiers
- Preferred name
- N-methyl-2'-nitro-p-toluenesulfonanilide
- IUPAC
- N,4-dimethyl-N-(2-nitrophenyl)benzenesulfonamide
- English name
- N-Methyl-2'-nitro-p-toluenesulfonanilide
- Molecular formula
- C14H14N2O4S
- Molecular weight
- 306.34
Names & synonyms
N-methyl-2'-nitro-p-toluenesulfonanilide6892-25-7DTXSID30292976RefChem:364405DTXCID30244117668-618-9NSC86610N,4-dimethyl-N-(2-nitrophenyl)benzene-1-sulfonamideSCHEMBL6831970HCEKZXBXGWJIFU-UHFFFAOYSA-NMCA95647NSC-86610
Show more names
Benzenesulfonamide, N,4-dimethyl-N-(2-nitrophenyl)-N,4-Dimethyl-d3-2′-nitro-p-toluenesulfonanilide, CAS 6892-25-7
AKOS024337283
Database identifiers
- CAS
6892-25-7- PubChem CID
- 257978
- DTXSID
DTXSID30292976- EC Number
- 668-618-9
- Nikkaji
- J1.415.813H
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 91.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 460
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 302 · H302-H318-H315-H335
- Precautionary statements
- 280 · P280-P305+P351+P338-P310-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362
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
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 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
- Danger
- Symbol(GHS)
- GHS07,GHS05
- Hazard statements
- H302-H318-H315-H335
- Precautionary statements
- P280-P305+P351+P338-P310-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Applications
UsesN,4-Dimethyl-d3-2'-nitro-p-toluenesulfonanilide is an intermediate in the synthesis of Telmisartan-d3 (T017002), the labeled analogue ofTelmisartan (T017000), an angiotensin II receptor antagonist.
Related reactions
2 records
Compound notes
Loading…