Benzonitrile, 5-chloro-2-methoxy-


Chemical Name: Benzonitrile, 5-chloro-2-methoxy-
CAS Number: 55877-79-7
Product Number: AG003MN6(AGN-PC-0KLBGB)
Synonyms:
MDL No:
Molecular Formula: C8H6ClNO
Molecular Weight: 167.5923

Identification/Properties


Properties
MP:
96 °C
BP:
266.8°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
167.592g/mol
XLogP3:
2.2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
167.014g/mol
Monoisotopic Mass:
167.014g/mol
Topological Polar Surface Area:
33A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
174
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#:
3439
Hazard Statements:
H302+H312-H315-H319-H331-H335
Precautionary Statements:
P261-P280-P305+P351+P338-P311
Class:
6.1
Packing Group:

NMR Spectrum


Other Analytical Data


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