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Tetrabutylthiuram disulfide

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Name

Tetrabutylthiuram disulfide

EINECS 216-652-6
CAS No. 1634-02-2 Density 1.081 g/cm3
PSA 121.26000 LogP 6.74200
Solubility 140μg/L at 25℃ Melting Point 95 °C
Formula C18H36N2S4 Boiling Point 478.5 °C at 760 mmHg
Molecular Weight 408.761 Flash Point 243.2 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 20/22-36/37-43-68
Molecular Structure Molecular Structure of 1634-02-2 (TETRA-N-BUTYLTHIURAM DISULFIDE) Hazard Symbols N/A
Synonyms

NSC 677476;Disulfide,bis(dibutylthiocarbamoyl) (6CI,7CI,8CI);Thioperoxydicarbonic diamide ([(H2N)C(S)]2S2),tetrabutyl- (9CI);Bis(dibutylthiocarbamoyl) disulfide;Butyl Tuads;E-BT 55;Methanethioamide, 1,1'-dithiobis[N,N-dibutyl-;N,N,N',N'-Tetrabutylthiuramdisulfide;Robac TBUT;Tetrabutylthiuram disulfide;Nocceler TBT;Nocceler TBT-N;1,1',1'',1'''-[Disulfanediylbis(carbonothioylnitrilo)]tetrabutane;Bis-(dibutylthiocarbamoyl) disulfide;butane, 1,1',1'',1'''-[dithiobis(carbonothioylnitrilo)]tetrakis-;

Article Data 17

Tetrabutylthiuram disulfide Consensus Reports

Reported in EPA TSCA Inventory.

Tetrabutylthiuram disulfide Specification

The Tetrabutylthiuram disulfide, with the CAS registry number 1634-02-2 and EINECS registry number 216-652-6, has the systematic name and IUPAC name of 1,1',1'',1'''-[disulfanediylbis(carbonothioylnitrilo)]tetrabutane. And the molecular formula of this chemical is C18H36N2S4. What's more, it is used as ultras for natural rubber, synthetic rubber and latex.

The physical properties of Tetrabutylthiuram disulfide are as following: (1)ACD/LogP: 8.13; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 8.13; (4)ACD/LogD (pH 7.4): 8.13; (5)ACD/BCF (pH 5.5): 890015.5; (6)ACD/BCF (pH 7.4): 890037; (7)ACD/KOC (pH 5.5): 631167.56; (8)ACD/KOC (pH 7.4): 631182.81; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 15; (12)Polar Surface Area: 121.26 Å2; (13)Index of Refraction: 1.566; (14)Molar Refractivity: 123.45 cm3; (15)Molar Volume: 378 cm3; (16)Polarizability: 48.94×10-24cm3; (17)Surface Tension: 47.7 dyne/cm; (18)Density: 1.081 g/cm3; (19)Flash Point: 243.2 °C; (20)Enthalpy of Vaporization: 74.26 kJ/mol; (21)Boiling Point: 478.5 °C at 760 mmHg; (22)Vapour Pressure: 2.57E-09 mmHg at 25°C.

Preparation of Tetrabutylthiuram disulfide: This chemical can be prepared start from the condensation of carbon bisulfide and dibutylamine. And then add the catalyst, it gives the desired product.

Tetrabutylthiuram disulfide can be prepared start from the condensation of carbon bisulfide and dibutylamine. And then add the catalyst, it gives the desired product

You should be cautious while dealing with this chemical. It irritates eyes and respiratory system, and is harmful by inhalation and if swallowed. It may cause sensitization by inhalation, and has possible risk of irreversible effects. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: S=C(SSC(=S)N(CCCC)CCCC)N(CCCC)CCCC
(2)InChI: InChI=1/C18H36N2S4/c1-5-9-13-19(14-10-6-2)17(21)23-24-18(22)20(15-11-7-3)16-12-8-4/h5-16H2,1-4H3
(3)InChIKey: PGAXJQVAHDTGBB-UHFFFAOYAI

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 2350mg/kg (2350mg/kg)   Acta Pharmacologica et Toxicologica. Vol. 8, Pg. 329, 1952.

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