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14239-68-0

Basic Information
CAS No.: 14239-68-0
Name: Cadmium diethyldithiocarbamate
Article Data: 10
Molecular Structure:
Molecular Structure of 14239-68-0 (Cadmium diethyldithiocarbamate)
Formula: C10H20CdN2S4
Molecular Weight: 408.956
Synonyms: Cadmium,bis(diethylcarbamodithioato-S,S')-, (T-4)-;Cadmium,bis(diethylcarbamodithioato-kS,kS')-, (T-4)- (9CI);Cadmium,bis(diethyldithiocarbamato)- (6CI,7CI,8CI);Bis(diethyldithiocarbamato)cadmium;Cadmate;Cadmium bis(N,N-diethyldithiocarbamate);Cadmiumbis(diethyldithiocarbamate);Cadmium di(diethyldithiocarbamate);Cadmiumdiethyldithiocarbamate;Cd diethyldithiocarbamate;NSC 154470;
EINECS: 238-113-4
Density: 1.48 g/cm3
Melting Point: 63-69 °C (dec.)
Boiling Point: 176.4 °C at 760 mmHg
Flash Point: 60.5 °C
Appearance: White or light yellow Power
Risk Codes: 20/21/22-51/53
Safety: 22-26-28-45
PSA: 134.68000
LogP: 3.08330
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Consensus Reports

Reported in EPA TSCA Inventory. Cadmium and its compounds are on the Community Right-To-Know List.

Standards and Recommendations

OSHA PEL: TWA 5 µg(Cd)/m3
ACGIH TLV: TWA 0.002 mg(Cd)/m3 (respirable dust), Suspected Human Carcinogen); BEI: 5 µg/g creatinine in urine; 5 µg/L in blood
DFG MAK: DFG BAT: Blood 1.5 µg/dL; Urine 15 µg/dL, Suspected Carcinogen
NIOSH REL: (Cadmium) Reduce to lowest feasible level

Specification

The bis(Diethyldithiocarbamato)cadmium, with the CAS registry number 14239-68-0 and EINECS registry number 238-113-4, has the systematic name of cadmium bis(diethylcarbamodithioate). And the molecular formula of this chemical is C10H20CdN2S4. It belongs to the product category of Organometallics.

The physical properties of bis(Diethyldithiocarbamato)cadmium are as following: (1)ACD/LogP: 1.81; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.86; (4)ACD/LogD (pH 7.4): -0.95; (5)ACD/BCF (pH 5.5): 1.56; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 25.7; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 74.13 Å2; (13)Flash Point: 60.5 °C; (14)Enthalpy of Vaporization: 41.27 kJ/mol; (15)Boiling Point: 176.4 °C at 760 mmHg; (16)Vapour Pressure: 1.1 mmHg at 25°C.

You should be cautious while dealing with this chemical. It is harmful by inhalation, in contact with skin and if swallowed. It is also toxic to aquatic organisms, and may cause long-term adverse effects in the aquatic environment. Therefore, you had better take the following instructions: Do not breathe dust; In case of contact with eyes, rinse immediately with plenty of water and seek medical advice; After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer); In case of accident or if you feel unwell, seek medical advice immediately (show label where possible).

You can still convert the following datas into molecular structure:
(1)SMILES: [Cd+2].S=C([S-])N(CC)CC.[S-]C(=S)N(CC)CC
(2)InChI: InChI=1/2C5H11NS2.Cd/c2*1-3-6(4-2)5(7)8;/h2*3-4H2,1-2H3,(H,7,8);/q;;+2/p-2
(3)InChIKey: QQOALHQRKUYNIC-NUQVWONBAZ

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 650mg/kg (650mg/kg)   Annals of Clinical and Laboratory Science. Vol. 11, Pg. 476, 1981.