3D Mol Similar

Ethyl ziram

: Iupac Name：zinc;N,N-diethylcarbamodithioate; CAS No.: 14324-55-1; Molecular Weight：281.397; Modify Date.: 2022-11-10 14:03; Introduction: Rubber vulcanization accelerator, especially forlatex foam; heat stabilizer for polyethylene. View more+

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1. Names and Identifiers

: 1.1 Name; Ethyl ziram; 1.2 Synonyms; Accelerator EZ & EZ-SP Accelerator EZ powder AcceleratorZDC bis(Diethylcarbamothioylthio)zinc Carbamodithioic acid, N,N-diethyl-, zinc salt (2:1) DIETHYLDITHIOCARBAMIC ACID ZINC SALT EINECS 238-270-9 ETHYL ZIMATE MFCD00064798 Perkacit ZDEC ZBDC ZDEC Zinc bis(diethylcarbamodithioate) Zinc diethylcarbamodithioate ZINC DIETHYLDITHIOCARBAMATE ZINC N,N-DIETHYLDITHIOCARBAMATE Zinc two ethyl two zinc,N,N-diethylcarbamodithioate; View all

1.3 CAS No.: 14324-55-1

1.4 CID: 26633

1.5 EINECS(EC#): 238-270-9

1.6 Molecular Formula: C10H20N2S4Zn (isomer)

1.7 Inchi: InChI=1S/2C5H11NS2.Zn/c2*1-3-6(4-2)5(7)8;/h2*3-4H2,1-2H3,(H,7,8);/q;;+2/p-2

1.8 InChIkey: RKQOSDAEEGPRER-UHFFFAOYSA-L

1.9 Canonical Smiles: CCN(CC)C(=S)[S-].CCN(CC)C(=S)[S-].[Zn+2]

1.10 Isomers Smiles: CCN(CC)C(=S)[S-].CCN(CC)C(=S)[S-].[Zn+2]

2. Properties

2.1 Density: 1,48

2.1 Melting point: 178-181℃

2.1 Boiling point: 176.4 oC at 760 mmHg

2.1 Flash Point: 60.5 oC

2.1 Precise Quality: 359.98000

2.1 PSA: 70.66000

2.1 logP: 2.31750

2.1 Appearance: white to off white powder

2.2 Storage: Ambient temperatures.

2.3 Chemical Properties: White powder. Soluble in carbon disulfide, benzene, and chloroform; insoluble in water.

2.4 Color/Form: White

2.5 Decomposition: When heated to decompositio it emits very toxic fumes of /nitrogen and sulfur oxides/.

2.6 Water Solubility: Insoluble (but Soluble in Benzene Carbon Disulfide Organic liquids)

2.7 Stability: Stable under normal temperatures and pressures.

2.8 StorageTemp: Keep in a cool, dry, dark location in a tightly sealed container or cylinder. Keep away from incompatible materials, ignition sources and untrained individuals. Secure and label area. Protect containers/cylinders from physical damage.

3. Use and Manufacturing

3.1 Purification Methods: Crystallise this herbicide several times from hot toluene or from hot CHCl3 by addition of EtOH. It also crystallises from xylene, m 180o. [Beilstein 4 II 613.] TOXIC. Ethyl ziram Preparation Products And Raw materials Raw materials

3.2 Usage: Rubber vulcanization accelerator, especially forlatex foam; heat stabilizer for polyethylene.

4. Safety and Handling

4.1 Symbol: GHS07;GHS09;

4.1 Hazard Codes: Xn

4.1 Signal Word: Warning

4.1 Risk Statements: R22;R36/37/38;R43;R50/53

4.1 Safety Statements: S24;S37;S60;S61

4.1 Packing Group: III

4.1 Other Preventative Measures: The most radical measure to be taken ... is the rationalization of the production process: replacement of batch processes by continuous ones, automation, remote control, choice of processes offering conditions of good occupational hygiene, mechanization of manual tasks and transport of the products in tightly closed vessels, and gas-tight enclosure of plant. Sources of release of gases into the air must be enclosed and equipped with exhaust systems. Air containing toxic substances must be cleaned or treated by catalytic after burning before it is discharged into the atmosphere. ... Regular checks for leaks in tight plant, pipework and storage tanks ... are very important. ... piping and ventilation ductwork ... /should/ resist oxidizers. ... When production is associated with the spread of dust, it is particularly important to use water sprays for dust control. /Oxidizing substances/
SRP: Contaminated protective clothing should be segregated in such a manner so that there is no direct personal contact by personnel who handle, dispose, or clean the clothing. Quality assurance to ascertain the completeness of the cleaning procedures should be implemented before the decontaminated protective clothing is returned for reuse by the workers.; View all

4.2 Hazard Class: 6.1

4.2 Hazard Declaration: H302; H315; H317; H319; H335; H410

4.2 DisposalMethods: SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.

4.3 RIDADR: UN 3077

4.3 Safety Profile: Poison by intraperitoneal route.Moderately toxic by ingestion and subcutaneous routes.Severe irritant to eyes, nose, and throat. Questionablecarcinogen with experimental carcinogenic andtumorigenic data. Mutation data reported. When heated todecompos

4.4 Caution Statement: P261; P273; P280; P305 + P351 + P338; P501

4.4 WGK Germany: 3

4.4 RTECS: ZH0350000

4.4 Protective Equipment and Clothing: WORKERS ... SHOULD WEAR PERSONAL PROTECTIVE EQUIPMENT (ACID-PROOF PROTECTIVE CLOTHING, FOOTWEAR, GLOVES AND GOGGLES). /OXIDIZING SUBSTANCES/
HANDLE IN EFFECTIVE FUME REMOVAL DEVICE FROM BEHIND EXPLOSION-RESISTANT BARRIER. USE FACE SHIELD. /OXIDIZERS/
Rubber gloves, face shield or goggles ... /Zinc dichromate trihydrate/
WORKERS ... SHOULD WEAR PERSONAL PROTECTIVE EQUIPMENT (ACID-PROOF PROTECTIVE CLOTHING, FOOTWEAR, GLOVES AND GOGGLES). /OXIDIZING SUBSTANCES/

4.5 Specification

The?Zinc diethyl dithiocarbamate ,?with cas registry number of 14324-55-1,?has many other registry numbers including 115028-55-2, 120092-57-1, 136-94-7, 14460-21-0, 15465-13-1, 18445-58-4, 32733-02-1, 39456-86-5, 880359-15-9, 92481-10-2. Its IUPAC name is also called zinc N,N-diethylcarbamodithioate . Its systematic name is zinc bis(diethylcarbamodithioate) . It belongs to?categories of (1)Organometallics; (2)Classes of Metal Compounds; (3)Transition Metal Compounds; (4)Zn (Zinc) Compounds. It is?soluble in ether , carbon disulfide , benzene and chloroform , slightly soluble in alcohol , not dissolve in water .

Physical properties of?Zinc diethyl dithiocarbamate : (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) Enthalpy of Vaporization: 41.27 kJ/mol ; (13) Vapour Pressure: 1.1 mmHg at 25°C.

Uses of?Zinc diethyl dithiocarbamate : (1) It is mainly?used as an ultra accelerator for natural rubber and synthetic rubber, especially for butyl rubber, EPDM rubber and latex. (2)?It is also an analytical reagent.

Preparation of?Zinc diethyl dithiocarbamate : First,?Sodium dibutyldithiocarbamate is prepared by reaction of?condensation by carbon disulfide with diethylamine?. Then,?Zinc diethyl dithiocarbamate is obtained by replacement reaction of zinc sulfate (or zinc chloride) with?Sodium dibutyldithiocarbamate .

When you are using this chemical, please be cautious about it as the following:
The Zinc diethyl dithiocarbamate irritate to eyes, respiratory system and skin. It is very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. And it is harmful if swallowed. When use it, wear suitable gloves and avoid contact with skin. This material and its container must be disposed of as hazardous waste.?Avoid release to the environment.

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

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	142mg/kg (142mg/kg)	?	Kobunshi Kako. Polymer Applications. Vol. 26, Pg. 358, 1977.
mouse	LD50	oral	1400mg/kg (1400mg/kg)	?	Farmakologiya i Toksikologiya Vol. 32, Pg. 356, 1969.
rabbit	LD50	oral	400mg/kg (400mg/kg)	?	International Polymer Science and Technology. Vol. 3, Pg. 93, 1976.
rat	LD50	oral	700mg/kg (700mg/kg)	?	Farmakologiya i Toksikologiya Vol. 32, Pg. 356, 1969.

View all

4.6 Toxicity: LD50 orl-rat: 3340 mg/kg 28ZPAK -,11,72

5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

Skin irritation, Category 2

Eye irritation, Category 2

Skin sensitization, Category 1

Specific target organ toxicity \u2013 single exposure, Category 3

Hazardous to the aquatic environment, short-term (Acute) - Category Acute 1

Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 1

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word	Warning
Hazard statement(s)	H302 Harmful if swallowed H315 Causes skin irritation H319 Causes serious eye irritation H317 May cause an allergic skin reaction H335 May cause respiratory irritation H410 Very toxic to aquatic life with long lasting effects
Precautionary statement(s)
Prevention	P264 Wash ... thoroughly after handling. P270 Do not eat, drink or smoke when using this product. P280 Wear protective gloves/protective clothing/eye protection/face protection. P261 Avoid breathing dust/fume/gas/mist/vapours/spray. P272 Contaminated work clothing should not be allowed out of the workplace. P271 Use only outdoors or in a well-ventilated area. P273 Avoid release to the environment.
Response	P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/\u2026if you feel unwell. P330 Rinse mouth. P302+P352 IF ON SKIN: Wash with plenty of water/... P321 Specific treatment (see ... on this label). P332+P313 If skin irritation occurs: Get medical advice/attention. P362+P364 Take off contaminated clothing and wash it before reuse. P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. P337+P313 If eye irritation persists: Get medical advice/attention. P333+P313 If skin irritation or rash occurs: Get medical advice/attention. P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing. P312 Call a POISON CENTER/doctor/\u2026if you feel unwell. P391 Collect spillage.
Storage	P403+P233 Store in a well-ventilated place. Keep container tightly closed. P405 Store locked up.
Disposal	P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

6. NMR Spectrum

Mass spectrum (electron ionization)

UV/Visible spectrum

7. Synthesis Route

14324-55-1Total: 7 Synthesis Route

906063-86-3

14324-55-1 181 Suppliers

Literatures:
Inorganic Chemistry, , vol. 45, # 15 p. 6064 - 6072
Yield: null

906063-85-2

14324-55-1 181 Suppliers

Literatures:
Inorganic Chemistry, , vol. 45, # 15 p. 6064 - 6072
Yield: null

906063-84-1

14324-55-1 181 Suppliers

Literatures:
Inorganic Chemistry, , vol. 45, # 15 p. 6064 - 6072
Yield: null

View all

8. Precursor and Product

precursor:

7646-85-7

906063-85-2

906063-86-3

7733-02-0

10196-18-6

148-18-5

97-77-8

906063-84-1

20624-25-3

9. Other Information

9.0 Chemical Properties: White powder. Soluble in carbon disulfide, benzene, and chloroform; insoluble in water.

9.1 Uses: Rubber vulcanization accelerator, especially for latex foam; heat stabilizer for polyethylene.

9.2 Hazard: Strong irritant to eyes and mucous membranes.

9.3 Purification Methods: Crystallise this herbicide several times from hot toluene or from hot CHCl3 by addition of EtOH. It also crystallises from xylene, m 180o. [Beilstein 4 II 613.] TOXIC.

9.4 Usage: Zinc diethyldithiocarbamate is a chelating ligand. It is used as a common accelerator to latex. A fast curing primary or secondary effective ultra-accelerator for natural and synthetic latex compounds.

10. Computational chemical data

Molecular Weight: 281.397g/mol
Molecular Formula: C₁₀H₂₀N₂S₄Zn
Compound Is Canonicalized: True
XLogP3-AA: null
Exact Mass: 359.980075
Monoisotopic Mass: 359.980075
Complexity: 73
Rotatable Bond Count: 4
Hydrogen Bond Donor Count: 0
Hydrogen Bond Acceptor Count: 4
Topological Polar Surface Area: 72.7
Heavy Atom Count: 17
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Isotope Atom Count: 0
Covalently-Bonded Unit Count: 3
CACTVS Substructure Key Fingerprint: AAADceBzAABwAAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHAQAAAAAAADBAAQCAAMAAAAEAAAAAAAAAAAAAAgAAAAIAAAAAAAAAAAAAAAAAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==