Benzenethiol, 2-amino-4-chloro-


Chemical Name: Benzenethiol, 2-amino-4-chloro-
CAS Number: 1004-00-8
Product Number: AG0001WH(AGN-PC-0JKACU)
Synonyms:
MDL No:
Molecular Formula: C6H6ClNS
Molecular Weight: 159.6365

Identification/Properties


Properties
MP:
56-61 °C(lit.)
BP:
281.2°C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Solid
Stability:
Stench
Computed Properties
Molecular Weight:
159.631g/mol
XLogP3:
2.4
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
158.991g/mol
Monoisotopic Mass:
158.991g/mol
Topological Polar Surface Area:
27A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
99.1
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#:
3259
Hazard Statements:
H314
Precautionary Statements:
P501-P260-P264-P280-P303+P361+P353-P301+P330+P331-P363-P304+P340+P310-P305+P351+P338+P310-P405
Class:
8
Packing Group:

NMR Spectrum


Other Analytical Data


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