Sodium dimethyldithiocarbamate - CAS 128-04-1

Catalog:	BB006858
Product Name:	Sodium dimethyldithiocarbamate
CAS:	128-04-1
Synonyms:	sodium;N,N-dimethylcarbamodithioate

Technical Data

IUPAC Name:	sodium;N,N-dimethylcarbamodithioate
Description:	Dimethyldithiocarbamic Acid Sodium Salt was used in studies to develop removal of heavy metals from water by sulfide precipitation.
Molecular Weight:	143.21
Molecular Formula:	C3H6NNaS2
Canonical SMILES:	CN(C)C(=S)[S-].[Na+]
InChI:	InChI=1S/C3H7NS2.Na/c1-4(2)3(5)6;/h1-2H3,(H,5,6);/q;+1/p-1
InChI Key:	VMSRVIHUFHQIAL-UHFFFAOYSA-M
Boiling Point:	130 °C
Melting Point:	120-122 °C
Flash Point:	32°C
Purity:	95 %
Density:	1.17 g/cm³
Solubility:	Miscible with water
Appearance:	Off-white powder
Storage:	0-6 °C
Decomposition:	When heated to decomposition it emits toxic fumes of /nitrogen and sulfur oxides as well as sodium oxide
MDL:	MFCD00044839
LogP:	1.03040
pH:	10.1 (1% aqueous solution); pH 12.6 (32% aqueous solution)
Stability:	Stable under normal temperatures and pressures.

GHS Hazard Statement:	H302 (21.49%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (10.15%): Causes skin irritation [Warning Skin corrosion/irritation]; H332 (20.9%): Harmful if inhaled [Warning Acute toxicity, inhalation]; H335 (19.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]; H400 (82.09%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]; H410 (43.88%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]; H411 (20.6%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement:	P261, P264, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P317, P319, P321, P330, P332+P317, P362+P364, P391, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	64
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	142.98393582
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	142.98393582
Rotatable Bond Count:	0
Topological Polar Surface Area:	36.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0