Heptane, 3-(chloromethyl)-


Chemical Name: Heptane, 3-(chloromethyl)-
CAS Number: 123-04-6
Product Number: AG000JWQ(AGN-PC-0946E8)
Synonyms:
MDL No:
Molecular Formula: C8H17Cl
Molecular Weight: 148.6736

Identification/Properties


Properties
MP:
-70 °C
BP:
173.426°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Liquid
Refractive Index:
1.432-1.436
Computed Properties
Molecular Weight:
148.674g/mol
XLogP3:
4.4
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
0
Rotatable Bond Count:
5
Exact Mass:
148.102g/mol
Monoisotopic Mass:
148.102g/mol
Topological Polar Surface Area:
0A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
52.5
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
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#:
1993
Hazard Statements:
H226-H315-H319
Precautionary Statements:
P210-P233-P240-P241+P242+P243-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P370+P378-P403+P235-P501
Class:
3
Packing Group:

NMR Spectrum


Other Analytical Data


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