Benzeneacetonitrile, 3,5-dichloro-


Chemical Name: Benzeneacetonitrile, 3,5-dichloro-
CAS Number: 52516-37-7
Product Number: AG00DAG4(AGN-PC-0NJWUW)
Synonyms:
MDL No: MFCD09923674
Molecular Formula: C8H5Cl2N
Molecular Weight: 186.0380

Identification/Properties


Properties
BP:
287℃
Storage:
Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
186.035g/mol
XLogP3:
2.8
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
1
Exact Mass:
184.98g/mol
Monoisotopic Mass:
184.98g/mol
Topological Polar Surface Area:
23.8A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
162
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:
Warning
UN#:
N/A
Hazard Statements:
H319
Precautionary Statements:
P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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