디벤조티아질 디설파이드

Accelerator DM

HCID 8447CAS 120-78-5

기본 정보

표준 SMILES
c1ccc2sc(SSc3nc4ccccc4s3)nc2c1
InChIKey
AFZSMODLJJCVPP-UHFFFAOYSA-N
분자식
C14H8N2S4
평균 분자량
332.5 g/mol
단동위원소 질량
331.95703226

개요

2,2'-dithiobisbenzothiazole is a cream to light yellow powder. (NTP, 1992)

이름 및 식별자

우선 이름
Accelerator DM
IUPAC
2-(1,3-benzothiazol-2-yldisulfanyl)-1,3-benzothiazole
현지명
디벤조티아질 디설파이드
영어명
2,2'-Dithiobis(benzothiazole)
분자식
C14H8N2S4
분자량
332.49

이름 및 동의어

120-78-52,2'-DithiobisbenzothiazoleMBTSBenzothiazole disulfideDibenzothiazolyl disulfideVulkacit DMPneumax DMVulcafor MBTS2,2'-DIBENZOTHIAZYL DISULFIDEBenzothiazolyl disulfideBis(2-benzothiazyl) disulfideEkagom GS
이름 더 보기
디벤조티아질디설파이드이황화벤조티아질2,2'-다이티오비스(벤조티아졸)이황화벤조티아질Altax다이(벤조티아졸-2-일) 다이설파이드벤조티아졸일 다이설파이드2,2Accelerator1,2-bis(benzo[d]thiazol-2-yl)disulfaneDIBENZOTHIAZOLE DISULFIDEbenzothiazolyl2-MercaptobenzothiBENZOTHIAZYL DISULFIDE
Dibenzoylthiazyl disulfideAccel TMVulkacit DM/CBis(benzothiazolyl) disulfide2,2'-Benzothiazyl disulfideRoyal MBTSDibenzothiazolyl disulphide2-Benzothiazolyl disulfide

데이터베이스 식별자

CAS
120-78-5
PubChem CID
8447
DTXSID
DTXSID1020146
ChEMBL
CHEMBL508112
ChEBI
CHEBI:53239
UNII
6OK753033Z
EC Number
204-424-9
Nikkaji
J2.004D

물성

구조 계산 물성

XLogP
5.6
극성 표면적
133 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
6
회전 가능 결합 수
3
무거운 원자 수
20

실험 및 물리화학적 성질

PolymersPlastics & Rubber -> Rubber Additives
SpringerMaterials PropertiesDiamagnetic susceptibility
LogP4.5
OdorODORLESS
Density · 3건

1.54 (NTP, 1992) - Denser than water; will sink

1.50

Density (at 20 °C): 1.5 g/cm³

Color/Form · 3건

PALE YELLOW NEEDLES FROM BENZENE

FREE-FLOWING POWDER

Cream to off-white powder or pellets

물리화학적 성질

녹는점
177 · 177-180 °C (lit.)
끓는 점
532.5 · 532.5±33.0 °C(Predicted)
밀도
1.5 · 1.5
증기압
0 Pa · 0Pa at 25℃
굴절률
1.57 · 1.5700 (estimate)
인화점
271 °C · 271°C

화학적 성질

yellow amorphous powder

안전 및 규제

GHS 분류

GHS Classification · 6건

Warning

H317: May cause an allergic skin reaction [Warning Sensitization, Skin]

P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)

Warning

H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]

P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)

유해성 정보

Regulatory Information · 4건

Chemical: Benzothiazole, 2,2'-dithiobis-

Benzothiazole, 2,2'-dithiobis- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzothiazole, 2,2'-dithiobis- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 29-09-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/14884

2,2'-Dithiobisbenzothiazole: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - Benzothiazole, 2,2'-dithiobis-: Human health tier I assessment
DOT LabelClass 9
Fire Hazards · 2건

This chemical is combustible. (NTP, 1992)

Combustible. Gives off irritating or toxic fumes (or gases) in a fire. Finely dispersed particles form explosive mixtures in air.

Health HazardsSYMPTOMS: Symptoms of exposure to this compound include skin and eye irritation.
Hazards Summary · 1건

A skin, eye, and respiratory tract irritant; May cause skin sensitization; Can be absorbed through skin; [ICSC] May cause skin sensitization; [HSDB] A skin and eye irritant; [CAMEO] May cause skin sensitization; [eChemPortal: ESIS] May cause irritation; May cause skin and respiratory sensitization after prolonged contact; [MSDSonline] See Mercapto mix.

안전 및 보호

Fire Fighting · 2건

Fires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. A water spray may also be used. (NTP, 1992)

Use water spray, dry powder, foam, carbon dioxide.

First Aid Measures · 4건

Fresh air, rest.

Wear protective gloves when administering first aid. Remove contaminated clothes. Rinse and then wash skin with water and soap.

First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.

Rinse mouth.

First Aid · 1건

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.

Safe StorageStore only in original container. Separated from strong oxidants. Store in an area without drain or sewer access. Provision to contain effluent from fire extinguishing.
Storage Conditions · 1건

MATERIALS WHICH ARE TOXIC AS STORED OR WHICH CAN DECOMPOSE INTO TOXIC COMPONENTS...SHOULD BE STORED IN A COOL WELL VENTILATED PLACE, OUT OF THE DIRECT RAYS OF THE SUN, AWAY FROM AREAS OF HIGH FIRE HAZARD, AND SHOULD BE PERIODICALLY INSPECTED. INCOMPATIBLE MATERIALS SHOULD BE ISOLATED...

Nonfire Spill Response · 1건

SMALL SPILLS AND LEAKAGE: If you spill this chemical, FIRST REMOVE ALL SOURCES OF IGNITION, then dampen the solid spill material with toluene and transfer the dampened material to a suitable container. Use absorbent paper dampened with toluene t pick up any remaining material. Your contaminated clothing and the absorbent paper should be sealed in a vapor-tight plastic bag for eventual disposal. Solvent-wash all contaminated surfaces with toluene followed by washing with soap and water solution. All exposed surfaces should be analyzed for contamination. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.

독성 정보

Environmental Fate · 3건

TERRESTRIAL FATE: When released to soil, 2,2'-dibenzothiazyl disulfide will be categorized as immobile(3) based on estimated Koc values ranging from 10,960 to 755,000 (1,2). The rate of biodegradation in soil is probably slow (0.8% theoretical BOD in 2 weeks in an aqueous screening test using soil inoculum)(4).

AQUATIC FATE: Volatilization of 2,2'-dibenzothiazyl disulfide from water will not be an important fate process based on an estimated Henry's Law Constant of 2.34X10-13(1,2). Insufficient data are available to predict the relative importance or rate of biodegradation in aquatic conditions although one aqueous screening biodegradation test would suggest slow biodegradation(SRC). Aquatic bioconcentration factors of 1.0-7.2 and 1.4-51 for concentrations of 0.2 mg/l and 0.02 mg/l, respectively, were measured for carp(3). Since 2,2'-dibenzothiazyl disulfide absorbs light >290 nm(4), it has the potential to photolyze, alhtough the kinetics of the potential photlysis are not known(SRC). It is possible that 2,2'-dibenzothiazyl disulfide will adsorb to sediment or particulate material in an aquatic system based on its estimated Koc(SRC).

ATMOSPHERIC FATE: If released to the atmosphere, 2,2'- dibenzothiazyl disulfide will degrade in the ambient atmosphere by reaction with photochemically produced hydroxyl radicals with an estimated half-life of 1.3 hrs(1).

Adverse EffectsSkin Sensitizer - An agent that can induce an allergic reaction in the skin.
Exposure RoutesThe substance can be absorbed into the body by inhalation of its aerosol, through the skin and by ingestion.
Signs and SymptomsRedness.
ICSC Environmental DataThe substance is very toxic to aquatic organisms. The substance may cause long-term effects in the aquatic environment. It is strongly advised not to let the chemical enter into the environment because it is persistent.
Soil Adsorption/Mobility · 1건

Using a structure estimation method based on molecular connectivity indexes, the Koc for 2,2'-dibenzothiazyl disulfide can be estimated to be about 755,000(1). The Koc for 2,2'-dibenzothiazyl disulfide can be estimated to be about 10,960 based on an estimated water solubility of 0.187 mg/L at 25 °C and a regression derived equation(2). According to a suggested classification scheme(3), these estimated Koc values suggest that 2,2'-dibenzothiazyl disulfide is immobile in soil.

안전 데이터

wgk
2
tsca
TSCA listed
rtecs
DL4550000
ridadr
UN 3077 9/PG 3
독성
LD50 oral in rat: > 12gm/kg
HS 번호
29342020

화학 및 산업

약리 정보

Metabolism/Metabolites · 1건

The metabolic fate of the sulfur atom in the sulfhydryl group of 2-thiobenzothiazole (TBT) metabolites was examined in a series of experiments in rats using (14)C and (35)S labeled L-cysteine and TBT metabolites. Male Wistar rats were orally administered (14)C labeled N-oxydiethylene-2-benzothiazole ODEBT, (35)S labeled ODEBT, (35)S labeled 2-mercaptobenzothiazole (MBT) and (35)S labeled 2,2'-dibenzothiazyl-disulfide (BTDS). Urine and feces were collected periodically for 72 hours and the urinary and fecal metabolites were determined. The urinary level of 2-benzothiazyl-mercapturic acid (BTMA) was determined in rats administered OCEBT orally. The incorporation of (14)C or (35)S labeled L-cysteine was determined in rats administered ODEBT orally. Glutathione conjugates of MBT from biliary metabolites were determined in rat liver in vitro. The (35)S retention ratios in BTDS and MBT was over 90%. In BTMA only 0.5% of the (35)S was retained. The ratios of conjugated to nonconjugated radioactivity obtained using (35)S labeled compounds were reduced when compared to those found for (14)C labeled compounds. Coadministration of cysteine increased the hepatic glutathione level and mercapturate excretion while inclusion of the glutathione synthetase inhibitor L-methionine-SR-sulfoximine decreased levels. The /data indicate/ that the sulfur atom in BTMA is mostly replaced by the endogenous sulfur from the cysteine pool.

FDA Pharmacological Classification · 6건

6OK753033Z

2,2'-DITHIOBISBENZOTHIAZOLE

Established Pharmacologic Class [EPC] - Standardized Chemical Allergen

Physiologic Effects [PE] - Increased Histamine Release

Physiologic Effects [PE] - Cell-mediated Immunity

Chemical Structure [CS] - Allergens

Absorption, Distribution and Excretion · 1건

To determine the metabolic disposition of (l4)C-2-mercaptobenzothiazole (MBT) and (14)C-2-mercaptobenzothiazole disulfide (MBTS) male and female rats were dosed topically. Topical doses were 36.1 ug/animal for (14)C-MBT and 33.6 ug/animal for (14)C-MBTS. Although more MBT passed through the skin than MBTS and although relative to rats, guinea pigs absorbed a greater percentage of the dose (33.4% compared to 16.1-17.5% of the MBT and 12.2% compared to 5.94-7.87% for MBTS) the disposition of radioactivity derived from the two compounds was similar. Washing of the skin removed more of the radioactivity from guinea pigs than from rats. For both sexes of rats dosed iv with (14)C-MBT 0.602 mg/kg) or (14)C-MBTS 0.571 mg/kg) disposition of the compounds was similar. In 72 hr, 90.9-101% of the dose appeared in the urine and 3.79-15.1% in the feces. At this time a small portion of the administered radioactivity (1.52-1.96% of the dose) remained associated with erythrocytes. Oral dosing of rats for 14 days with unlabeled MBT (0.510 mg/kg/day) prior to a single dose of (14)C-MBT (0.503 mg/kg) or with unlabeled MBTS (0.521 mg/kg/day) prior to a single dose of (14)C-MBTS (0.730 mg/kg). For both sexes disposition of the compounds was similar. At 96 hr after dosing a small portion of the administered radioactivity (1.20-1.69% of the dose) remained associated with erythrocytes most of which was bound to the membranes. For both compounds and sexes 60.8-101% of the radioactivity administered appeared in the urine and 3.46-9.99% in the feces in 96 hr. At the time only trace amounts of radioactivity remained in tissues other than blood. Of these tissues thyroid contained the highest concentration. In the urine there was a detectable MBT or MBTS but there were two metabolites one of which was identified as a thioglucuronide derivative of MBT. The other was possibly a sulfonic acid derivative of MBT. In conclusion there were similarities in absorption, distribution, and metabolism of (14)C-MBT and (14)C-MBTS in rats and in guinea pigs, indicating that (14)C-MBTS was readily converted to (14)C-MBT.

용도 및 제조

Uses · 5건

Used as rubber accelerator, polychloroprene plasticizer/retarder, and neoprene retarder; Also used for general mechanicals and white stocks; [HSDB] Used as cure modifier for neoprene type W and as oxidation cure activator in butyl; Used for extruded and molded products, tires, tubes, wire, cable, and sponge; [Hawley] Workers may be exposed in metals, home, health, laboratory, and building industries; [Kanerva, p. 1779]

Metal Machining [Category: Heat or Machine]

ACCELERATOR FOR NATURAL RUBBER, STYRENE-BUTADIENE RUBBER, NITRILE-BUTADIENE RUBBER; BUTADIENE RUBBER & FOR SYNTHETIC ISOPRENE RUBBER

RETARDER IN NEOPRENE

Gives flat, moderately fast curves in natural and synthetic rubber; used for general mechanicals and white stocks; plasticizer/retarder in polychloroprene.

ImpuritiesImpurities found in product: oil, sodium chloride, mercaptobenzothiazole, water, petroleum ether extractables
U.S. Exports(1975) No Data
U.S. Imports(1975) No Data
U.S. Production · 4건

2023: 4,000,000 - <5,500,000 lb

(1972) 9.66X10+9 GRAMS

(1975) 7.43X10+9 GRAMS

(1991) 4,419,000 kg

Consumer UsesOther
응용 분야 · 3건

개요Dibenzothiazyl disulfide is a rubber chemical used as a vulcanization accelerant. The most frequent occupational categories are metal industry, homemakers, health services and laboratories, and building industries.

용도2,2’Dibenzothiazoyl Disulfide has the potential to combat HPV, acting as a zinc-ejecting inhibitor. It also can act as radical polymerization photo-initiators or co-initiators.

일반 설명Cream to light yellow powder.

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
淄博泰立泽化工有限公司0533-5200592 13173271895 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
科瑞迪化学400-821-5857 021-64326257 · [email protected]

추가 설명

정의ChEBI: An organic disulfide resulting from the formal oxidative coupling of the thiol groups of two molecules of 1,3-benzothiazole-2-thiol. It is used as an accelerator in the rubber industry.

관련 반응

13건

연결된 노트

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