Basic information
- CAS
64415-13-0- Standard SMILES
N#CCCNS(=O)(=O)c1ccc(Cl)c(N)c1- InChIKey
DNMYCTLTLUHRRT-UHFFFAOYSA-N- Molecular formula
- C9H10ClN3O2S
- Average molar mass
- 259.71 g/mol
- Monoisotopic mass
- 259.0182254
Overview
N1-(2-cyanoethyl)-3-amino-4-chlorobenzene-1-sulfonamide is a member of benzenes and a sulfonamide.
Names & identifiers
- Preferred name
- 3-Amino-4-chloro-N-(2-cyanoethyl)benzenesulfonamide
- IUPAC
- 3-amino-4-chloro-N-(2-cyanoethyl)benzenesulfonamide
- English name
- 3-Amino-4-chloro-N-(2-cyanoethyl)-benzene sulfonamide, 98
- Molecular formula
- C9H10ClN3O2S
- Molecular weight
- 259.71
Names & synonyms
64415-13-03-Amino-4-chloro-N-(2-cyanoethyl)benzenesulfonamide3-amino-4-chloro-N-(2-cyanoethyl)benzene-1-sulfonamide3-Amino-4-chloro-N-(2-cyanoethyl)benzenesulphonamideBenzenesulfonamide, 3-amino-4-chloro-N-(2-cyanoethyl)-3-AMINO-4-CHLORO-N-(2-CYANOETHYL)-BENZENE SULFONAMIDE, 983-{[(3-amino-4-chlorophenyl)sulfonyl]amino}propanenitrileEINECS 264-879-4NSC123536SCHEMBL8219090DTXSID40214669CHEBI:194293
Show more names
3-amino-4-cloro-N-(2-cyanoethyl)benzenesulfonamideS-(3-Amino-4-chlorophenyl)-2-cyanoethane-1-sulfonamido
STR05328CCG-56002MFCD00007670SBB057546AKOS024333086NSC 123536NSC-123536DB-294106
Database identifiers
- CAS
64415-13-0- PubChem CID
- 97449
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 370
Physicochemical properties
- Melting point
- 96 °C · 96°C
- Density
- 1.4243 · 1.4243 (rough estimate)
- refractive index
- 1.63 · 1.6300 (estimate)
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
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, 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 CategoriesSkin Sens. 1 (100%)
Chemistry & industry
Suppliers2 total
HONEST JOY HOLDINGS LIMITED[email protected]
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Additional notes
DefinitionChEBI: N1-(2-cyanoethyl)-3-amino-4-chlorobenzene-1-sulfonamide is a sulfonamide and a member of benzenes.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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