N-옥시디에틸렌-2-벤조티아조릴 설펜아미드

2-(4-Morpholino)thiobenzothiazole

HCID 7619CAS 102-77-2

기본 정보

표준 SMILES
c1ccc2sc(SN3CCOCC3)nc2c1
InChIKey
MHKLKWCYGIBEQF-UHFFFAOYSA-N
분자식
C11H12N2OS2
평균 분자량
252.4 g/mol
단동위원소 질량
252.039105

개요

Morpholinylmercaptobenzothiazole is a Standardized Chemical Allergen. The physiologic effect of morpholinylmercaptobenzothiazole is by means of Increased Histamine Release and Cell-mediated Immunity.

이름 및 식별자

우선 이름
2-(4-Morpholino)thiobenzothiazole
IUPAC
4-(1,3-benzothiazol-2-ylsulfanyl)morpholine
현지명
N-옥시디에틸렌-2-벤조티아조릴 설펜아미드
영어명
2-(Morpholinothio)benzothiazole
분자식
C11H12N2OS2
분자량
252.36

이름 및 동의어

102-77-22-(Morpholinothio)benzothiazoleSantocure MORMorpholinylmercaptobenzothiazoleSulfenax MORVulcafor BSMVulkacit MOZNOBS SpecialUsaf cy-7Accel NSMeramide M4-(1,3-benzothiazol-2-ylsulfanyl)morpholine
이름 더 보기
2-(4-모르폴리닐)멜캅토벤조티아졸N-옥시디에틸렌-2-벤조티아조릴설펜아미드2-(4-모르폴리닐)멜캅토벤조티아졸2-(모르폴리노티오)벤조티아졸MBSOBSNOBSOMTSOBTSMORPHOLINOTHIOBENZOTHIAZOLEN-Oxydiethyl-2-benzthiazolsulfenamidRubber Accelerator NOBS/N-Oxydiethylent-2-benzothiazole sulfenamide
2-(4-Morpholinylthio)benzothiazoleBenzothiazole, 2-(4-morpholinylthio)-Delac MOR2-(4-Morpholinothio)benzothiazoleVulcafor SSM2-(4-Morpholinylmercapto)benzothiazoleCure-rite OBTSMorpholine, 4-(2-benzothiazolylthio)-

데이터베이스 식별자

CAS
102-77-2
PubChem CID
7619
DTXSID
DTXSID0021096
ChEMBL
CHEMBL1530581
UNII
VCD7623F3K
EC Number
203-052-4
Nikkaji
J3.600E

물성

구조 계산 물성

XLogP
2.7
극성 표면적
78.9 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
5
회전 가능 결합 수
2
무거운 원자 수
16

실험 및 물리화학적 성질

PolymersPlastics & Rubber -> Rubber Additives
SpringerMaterials PropertiesFusion temperature
OdorSWEET ODOR
Density1.34 @ 25 °C
Color/Form · 2건

BUFF TO BROWN FLAKES

TAN-COLORED POWDER

SolubilityINSOL IN WATER, SOL IN BENZENE, ACETONE, METHANOL

물리화학적 성질

녹는점
78 · 78-80°C
끓는 점
413.1 · 413.1±55.0 °C(Predicted)
밀도
1.34 · 1.34-1.40
증기압
0.001 Pa · 0.001Pa at 25℃
굴절률
1.565 · 1.5650 (estimate)
저장 조건
2 · Sealed in dry,2-8°C

화학적 성질

Buff to brown flakes; sweet odor. Insoluble in water; solublein benzene, acetone, methanol.

안전 및 규제

GHS 분류

GHS Classification · 6건

Warning

H315: Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P272, P273, P280, P302+P352, P305+P351+P338, P321, P332+P317, P333+P317, P337+P317, P362+P364, P391, and P501 (click each P-code to see the statement)

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P272, P273, P280, P302+P352, P305+P351+P338, P321, P332+P317, P333+P317, P337+P317, P362+P364, P391, and P501 (click each P-code to see the statement)

유해성 정보

Regulatory Information · 4건

Chemical: Morpholine, 4-(2-benzothiazolylthio)-

Benzothiazole, 2-(4-morpholinylthio)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzothiazole, 2-(4-morpholinylthio)- 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)

REACH registered substance: 2-(morpholinothio)benzothiazole (EC: 203-052-4)

2-Benzothiazolylsulfenyl morpholine: Does not have an individual approval but may be used under an appropriate group standard

Hazards Summary · 1건

May cause skin sensitization; [CHEMINFO] Danger of skin sensitization; [MAK] A skin and eye irritant; May cause skin sensitization; [eChemPortal: ESIS] A mild skin and eye irritant; May cause skin sensitization; [MSDSonline] It causes delayed-type skin sensitization; A case of immediate-type hypersensitivity was reported in a dental assistant; [Kanerva, p. 1818] See Mercaptobenzothiazole.

Hazard Classes and Categories · 4건

Skin Irrit. 2 (100%)

Eye irritation - category 2

Serious eye damage/eye irritation - Category 2

Skin Irrit. 2

안전 및 보호

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 DIRECT RAYS OF THE SUN, AWAY FROM AREAS OF HIGH FIRE HAZARD, AND SHOULD BE PERIODICALLY INSPECTED... INCOMPATIBLE MATERIALS SHOULD BE ISOLATED...

Disposal Methods · 1건

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.

독성 정보

Adverse EffectsSkin Sensitizer - An agent that can induce an allergic reaction in the skin.
TSCA Test Submissions · 5건

The ability of N-oxydiethylene-2-benzothiazyl sulfenamide (OBTS) to induce morphological transformation was evaluated in the Balb/3T3 mouse cell line (Cell Transformation Assay). Based on preliminary toxicity determinations (exposure time = 72hrs), OBTS was tested at concentrations of 0.05, 0.20, 2.0, 15.0 or 35.0ug/ml resulting in a range of approximately 80% to 48% survival (estimated graphically). OBTS produced significantly greater transformation frequencies (p < 0.01) over the applied concentration range of 0.2ug/ml to 35.0ug/ml relative to the solvent control (DMSO).

The ability of 2-(morpholinothio)benzothiazolesulfenamide (OBTS) to induce morphological transformation was evaluated in the Balb/3T3 mouse cell line (Cell Transformation Assay). Three samples of the test material were employed. Based on preliminary toxicity determinations (exposure time = 72hrs), all three assays of OBTS were conducted at concentrations ranging from 0.75 to 30ug/ml, resulting in approximately 95% to 20% survival. None of the treatments produced significantly greater transformation frequencies relative to the solvent control (DMSO).

2-(Morpholinothio)benzothiazole sulfenamide (OBTS; purified 4X by crystallization) was examined for mutagenic activity in Salmonella typhimurium strains TA1535, TA1537, TA1538, TA98, TA100, with and without metabolic activation provided by Aroclor-induced rat liver S9 fraction. The test article was not mutagenic to Salmonella tester strains in the plate preincubation assay at concentrations ranging from 0 to 2500 ug/plate under activated or non-activated conditions. Cytotoxicity to Salmonella strains was reported at the high doses in activated and non-activated assays.

The frequency of forward mutations was determined at the TK locus of the mouse lymphoma L5178Y cell line exposed in vitro to N-oxydiethylene-2-benzothiazyl sulfenamide (OBTS). The test article was administered at concentrations ranging from 0.195 to 50 ug/ml in the presence and absence of metabolic activation provided by Aroclor-induced rat liver S9 fraction. In the absence of activation a mutagenic effect was observed at concentrations greater than 10 ug/ml, levels at which OBTS was observed to be highly cytotoxic. In the presence of activation mutagenicity was observed at moderate to highly toxic treatment levels in the 3.13 to 40.0 ug/ml range.

For more TSCA Test Submissions (Complete) data for 2-(4-MORPHOLINOTHIOBENZOTHIAZOLE (12 total), please visit the HSDB record page.

Non-Human Toxicity Excerpts · 1건

The skin sensitization potentials of morpholine, 2-mercaptobenzothiazole (MBT) and their derivatives, 4,4'-dithiomorpholine (DTDM) and morpholinyl-mercaptobenzothiazole (MMBT) were examined using male Hartley albino guinea pigs. Preparations of 0.5, 2, 5 and 10% were used to determine the threshold irritation concn of each compound on the skin with 0.1 g of each applied on gauze pads of 1.5 sq cm dimensions. Materials were removed after 24 hr and readings taken at 1, 24, 48 hr after removal. For sensitization studies the animals were exposed to about 0.1 g of each cmpd in a concn of 5% of the amount needed to produce minimal intensity erythema from the irritant test. Test materials were removed after 24 hr. The procedure was repeated 3 times/wk for 2 wk. Two wk after the final induction, the challenge test was preformed. The left flank of the test animals was shaved, and 0.1, 0.5 and 2% dose preparations of each induction cmpd were applied. Materials were removed after 24 hr and readings taken at 1, 24 and 48 hr and 7 days after removal. Cross sensitization studies were also performed. The sensitization potential was greatest for DTDM, with MMBT being the next strongest. MBT was also a sensitizer, but morpholine not. The intensity and percent of reactions to challenge depended on the concn of the test cmpd. A variety of cross sensitization reactions occurred suggesting that the morpholine ring alone was not able to induce sensitization; on association with a disulfide bond, it became a strong sensitizing agent. The sensitization potential of MBT appeared directly related to the sulfhydryl functional group in the benzothiazole.

안전 데이터

wgk
WGK 3
tsca
TSCA listed
rtecs
DL5950000
ridadr
3077
독성
LD50 orl-rat: 1980 mg/kg IPSTB3 3,93,76
HS 번호
29342000

화학 및 산업

약리 정보

FDA Pharmacological Classification · 6건

VCD7623F3K

MORPHOLINYLMERCAPTOBENZOTHIAZOLE

Established Pharmacologic Class [EPC] - Standardized Chemical Allergen

Physiologic Effects [PE] - Increased Histamine Release

Physiologic Effects [PE] - Cell-mediated Immunity

Chemical Structure [CS] - Allergens

용도 및 제조

Uses · 3건

Used as a delayed-action vulcanization accelerator; [HSDB] Occupational exposures occur among machinists (corrosion inhibitors) and pottery workers (releasing fluids); [Kanerva, p. 1818]

Metal Machining [Category: Heat or Machine]

Delayed action vulcanization accelerator.

U.S. Exports · 2건

(1972) No Data

(1975) No Data

U.S. Imports · 2건

(1972) No Data

(1975) 9.09X10+7 GRAMS (PRINCPL CUSTMS DISTS)

U.S. Production · 4건

2023: 1,000,000 - <2,500,000 lb

(1972) PROBABLY GREATER THAN 1.36X10+6 GRAMS

(1975) PROBABLY GREATER THAN 1.36X10+6 GRAMS

>900 kg in 1979

Consumption PatternsESSENTIALLY 100% AS ACCELERATOR FOR RUBBER VULCANIZATION
Consumer UsesPolymerization promoter
응용 분야 · 2건

개요This rubber vulcanization accelerator is used as a chemical in the rubber industry, especially in the production of synthetic rubber articles. Is contained in the "mercapto mix". As a corrosion inhibitor, it can be found in cutting fluids or in releasing fluids in the pottery industry. It induces mainly delayed-type hypersensitivity, but a case of immediate-type hypersensitivity was reported in a dental assistant.

용도Delayed-action vulcanization accelerator.

공급사50 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]

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