Benzoic acid, 4-chloro-3-(chlorosulfonyl)-


Chemical Name: Benzoic acid, 4-chloro-3-(chlorosulfonyl)-
CAS Number: 2494-79-3
Product Number: AG002PXN(AGN-PC-0JLPH6)
Synonyms:
MDL No:
Molecular Formula: C7H4Cl2O4S
Molecular Weight: 255.0753

Identification/Properties


Properties
MP:
170 - 172°C
BP:
432.4°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
255.065g/mol
XLogP3:
2.1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
253.921g/mol
Monoisotopic Mass:
253.921g/mol
Topological Polar Surface Area:
79.8A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
321
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
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Danger
UN#:
3261
Hazard Statements:
H302-H315-H318-H335
Precautionary Statements:
P261-P280-P305+P351+P338
Class:
8
Packing Group:

NMR Spectrum


Other Analytical Data


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