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  • 2-nitrobenzenesulfonyl chloride
Name:2-nitrobenzenesulfonyl chloride
CAS No:1694-92-4

PRODUCT DESCRIPTION

【Name】
2-nitrobenzenesulfonyl chloride
【CAS Registry number】
1694-92-4
【Synonyms】
O-NITROBENZENESULFONYL CHLORIDE
2-Nitrobenaenesulfonylchloride
2-nitro-benzenesulfonylchlorid
Benzenesulfonylchloride,2-nitro-
2-NITROBENZENESULPHONYL CHLORIDE
1-(Chlorosulfonyl)-2-nitrobenzene
2-Nitro-benzenesulfonyl
2-nitrobenzenesuifonyl chloride
NBSC
【EINECS(EC#)】
216-907-1
【Molecular Formula】
C6H4ClNO4S (Products with the same molecular formula)
【Molecular Weight】
221.61
【Inchi】
InChI=1/C6H4ClNO4S/c7-13(11,12)6-4-2-1-3-5(6)8(9)10/h1-4H
【Canonical SMILES】
C1=CC=C(C(=C1)[N+](=O)[O-])S(=O)(=O)Cl
【MOL File】
1694-92-4.mol

Chemical and Physical Properties

【Appearance】
Yellow solid.
【Density】
1.606g/cm3
【Melting Point】
65-67℃
【Boiling Point】
350.6°Cat760mmHg
【Vapour】
8.79E-05mmHg at 25°C
【Refractive Index】
1.588
【Flash Point】
165.8°C
【Solubilities】
Insoluble
【Stability】
No data.
【Storage temp】
Store in a cool, dry place. Store in a tightly closed container. Corrosives area.
【Computed Properties】
Molecular Weight:221.61826 [g/mol]
Molecular Formula:C6H4ClNO4S
XLogP3:1.8
H-Bond Donor:0
H-Bond Acceptor:4
Rotatable Bond Count:1
Exact Mass:220.954956
MonoIsotopic Mass:220.954956
Topological Polar Surface Area:88.3
Heavy Atom Count:13
Formal Charge:0
Complexity:291
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:2
Feature 3D Anion Count:1
Feature 3D Ring Count:1
Effective Rotor Count:2
Conformer Sampling RMSD:0.6
CID Conformer Count:2

Safety and Handling

【Hazard Codes】
C:Corrosive;
【Risk Statements】
R34
【Safety Statements 】
S26;S36/37/39;S45
【HazardClass】
8
【Hazard Note】
Corrosive/Moisture Sensitive
【PackingGroup 】
II
【Sensitive】
Moisture Sensitive
【Transport】
UN 3261

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