N-tert-부틸-2-벤조티아조릴 설펜아미드
N-(1,1-다이메틸에틸)-2-벤조티아졸술폰아마이드 · N-tert-부틸-2-벤조티아조릴설펜아미드 · N-tert-부틸-2-벤조티아졸술펜아미드 · TBBS · BBTS · 2-(tert-Butylaminothio)benzothiazole · NTBBTS · accelbns
식별자 및 물리적 특성
| CAS No. | 95-31-8 |
|---|---|
| 분자식 | C11H14N2S2 |
| 평균 분자량 | 238.4 g/mol |
| 단동위원소 질량 | 238.05984045 g/mol |
| SMILES | CC(C)(C)NSc1nc2ccccc2s1 |
| InChIKey | IUJLOAKJZQBENM-UHFFFAOYSA-N |
| PubChem CID | 7230 |
| ChEMBL | CHEMBL3182037 |
| EC No. | 202-409-1 |
| DTXSID | DTXSID7026572 |
| 현지명 | N-tert-부틸-2-벤조티아조릴 설펜아미드 |
화학 및 물리적 성질
| XLogP | 3.4 |
|---|---|
| 극성 표면적 | 78.5 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 4 |
| 회전 가능 결합 수 | 3 |
| 무거운 원자 수 | 15 |
| 형식 전하 | 0 |
| 복잡도 | 215 |
| Polymers | Plastics & Rubber -> Rubber Additives |
| 밀도 | 1.29 @ 25 °C1,29 g/cm3 |
| Color/Form | LIGHT BUFF POWDER OR FLAKESSOMETIMES COLORED BLUE |
| 용해도 | SOL IN MOST ORG SOLVENTS |
| 녹는점 | 104 °C (MIN)105°C |
| Food Contact Substances | FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR |
| Physical Description | Dry PowderLarge CrystalsOther SolidLight beige solidSometimes blue[HSDB] Light buff to tan powder[MSDSonline] |
| 끓는 점 | 344.1±25.0 °C(Predicted) |
| 증기압 | 0Pa at 25℃ |
| 굴절률 | 1.5500 (estimate) |
| 인화점 | 165°C |
| 저장 조건 | Keep in dark place,Sealed in dry,Room Temperature |
| pKa(산도 계수) | 1.25±0.70(Predicted) |
| 용해도 | 1.74mg/L at 20℃ |
| BRN | 158370 |
| InChI | InChI=1S/C11H14N2S2/c1-11(2,3)13-15-10-12-8-6-4-5-7-9(8)14-10/h4-7,13H,1-3H3 |
| InChIKey | IUJLOAKJZQBENM-UHFFFAOYSA-N |
| SMILES | S1C2=CC=CC=C2N=C1SNC(C)(C)C |
| LogP(분배 계수) | 3.36 at 25℃ |
| NIST | 2-Benzothiazolesulfenamide, n-(1,1-dimethylethyl)-(95-31-8) |
| EPA | N-tert-Butyl-2-benzothiazolesulfenamide (95-31-8) |
안전 및 규제
| GHS 분류 | WarningH317 (99.6%): 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)Aggregated GHS information provided per 244 reports by companies from 14 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.H317: May cause an allergic skin reaction [Warning Sensitization, Skin] |
|---|---|
| 규제 정보 | Chemical: 2-Benzothiazolesulfenamide, N-(1,1-dimethylethyl)-2-Benzothiazolesulfenamide, N-(1,1-dimethylethyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Benzothiazolesulfenamide, N-(1,1-dimethylethyl)- 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: N-tert-butylbenzothiazole-2-sulphenamide (EC: 202-409-1)N-tert-butyl-2-benzothiazolesulfenamide: Does not have an individual approval but may be used under an appropriate group standard |
| 기타 안전 정보 | IMAP assessments - 2-Benzothiazolesulfenamide, N-(1,1-dimethylethyl)-: Human health tier I assessment |
| 유해성 요약 | High dose oral studies with rats showed effects on the liver, kidneys, and erythrocytes (hemolysis)The LOAEL for anemia was 40 mg/kg/day by gavageMild irritation to skin and eyes was observed in rabbit studiesA product of hydrolysis, mercaptobenzothiazole, is a potent skin sensitizer[eChemPortal: SIDSUNEP] A mild irritantMay cause skin sensitization[MSDSonline] See Mercaptobenzothiazole. |
| Hazard Classes and Categories | Skin Sens. 1A (99.6%)Skin sensitization - Category 1 |
| 처리 방법 | 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. |
| 유해 작용 | Occupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation. |
| TSCA 등재 상태 | TSCA listed |
| RTECS 번호 | DL6200000 |
| 운송 번호(UN) | 3077 |
| 관세 코드 | 29342000 |
| 위험 문구(R) | 43-53 |
| 안전 문구(S) | 36-45-61-37-24 |
| 포장분류 | III |
| 위험 등급 | 9 |
| 기존화학 물질 | KE-11372 |
| 유해 물질 데이터 | 95-31-8(Hazardous Substances Data) |
용도
개요
N-tert-Butyl-2-benzothiazolesulfenamide (TBBS) is one of the essential kinds of sulfenamide vulcanization accelerator, have anti-incipient scorch and the large advantage of vulcanization rate fast two concurrently for natural rubber, styrene-butadiene rubber(SBR), cis-1,4-polybutadiene rubber, in polyisoprene rubber, be particularly useful for the furnace treated black sizing material that alkalescence is higher, variable color and pollution are slight, the alternative NOBS(N-morpholinyl benzothiaolesulfenamide having carinogenicity possible containing secondary amine), the NOBS of tire industry is replaced with CBS (CZ) or TBBS in l994 law-making stipulation by Germany.
용도
N-tert-Butyl-2-benzothiazolesulfenamide is used as an accelerator for natural and synthetic isoprene and butadiene rubbers.