CAS
96591-94-5 Purity
96%
96591-94-5 Purity
96%
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4-chloro-3-nitro-N-propan-2-ylbenzenesulfonamide
CAS
96-59-3
Catalog Number
ACM96593
Category
Other Products
Molecular Weight
278.713 g/mol
Molecular Formula
C9H11ClN2O4S
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Specification
Synonyms
MolPort-002-467-027, NSC166880, CID66780, EINECS 202-518-4, ZINC03888078, NSC 166880, EN300-10254, 4-Chloro-N-isopropyl-3-nitrobenzenesulphonamide, Benzenesulfonamide, 4-chloro-N-isopropyl-3-nitro-, Benzenesulfonamide, 4-chloro-N-(1-methylethyl)-3-nitro-, Benzenesulfonamide, 4-chloro-N-isopropyl-3-nitro- (8CI), 96-59-3
IUPAC Name
4-chloro-3-nitro-N-propan-2-ylbenzenesulfonamide
Canonical SMILES
CC(C)NS(=O)(=O)C1=CC(=C(C=C1)Cl)[N+](=O)[O-]
InChI Key
KFKCKBPFUJOIQG-UHFFFAOYSA-N
Boiling Point
404ºC at 760mmHg
Flash Point
198.1ºC
Density
1.413g/cm³
EC Number
202-518-4
Exact Mass
278.01300
H-Bond Acceptor
5
H-Bond Donor
1
Safety Description
S16-S36/39
What is the molecular formula of the compound?
The molecular formula of the compound is C9H11ClN2O4S.
What is the molecular weight of the compound?
The molecular weight of the compound is 278.71 g/mol.
What is the IUPAC name of the compound?
The IUPAC name of the compound is 4-chloro-3-nitro-N-propan-2-ylbenzenesulfonamide.
What is the InChI of the compound?
The InChI of the compound is InChI=1S/C9H11ClN2O4S/c1-6(2)11-17(15,16)7-3-4-8(10)9(5-7)12(13)14/h3-6,11H,1-2H3.
What is the InChIKey of the compound?
The InChIKey of the compound is KFKCKBPFUJOIQG-UHFFFAOYSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES of the compound is CC(C)NS(=O)(=O)C1=CC(=C(C=C1)Cl)[N+](=O)[O-].
What is the CAS number of the compound?
The CAS number of the compound is 96-59-3.
What is the European Community (EC) number of the compound?
The European Community (EC) number of the compound is 202-518-4.
What is the UNII of the compound?
The UNII of the compound is 5YEQ66NN92.
What is the molecular weight of the compound according to PubChem?
The molecular weight of the compound is 278.71 g/mol according to PubChem.
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