기본 정보
- 표준 SMILES
S=C(SSSSC(=S)N1CCCCC1)N1CCCCC1- InChIKey
VNDRMZTXEFFQDR-UHFFFAOYSA-N- 분자식
- C12H20N2S6
- 평균 분자량
- 384.7 g/mol
- 단동위원소 질량
- 383.99507464
이름 및 식별자
- 우선 이름
- Dipentamethylenethiuram tetrasulfide
- IUPAC
- (piperidine-1-carbothioyltrisulfanyl) piperidine-1-carbodithioate
- 현지명
- 디펜타 메틸렌 티우람 사황화물
- 영어명
- Bis(pentamethylene)thiuram tetrasulfide
- 분자식
- C12H20N2S6
- 분자량
- 384.69
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
120-54-7- PubChem CID
- 61049
- DTXSID
DTXSID0044789- UNII
- YX3WH7S23F
- EC Number
- 204-406-0
- Nikkaji
- J2.918A
물성
구조 계산 물성
- XLogP
- 4.3
- 극성 표면적
- 172 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 20
- 형식 전하
- 0
- 복잡도
- 294
실험 및 물리화학적 성질
Physical Description
Dry Powder; Other Solid
White to off-white powder; [R.T. Vanderbilt MSDS]
물리화학적 성질
- 녹는점
- 118 to · 118.0 to 122.0 °C
- 끓는 점
- 510.1 · 510.1±33.0 °C(Predicted)
- 밀도
- 1.4933 · 1.4933 (rough estimate)
- 굴절률
- 1.57 · 1.5700 (estimate)
- 저장 조건
- Sealed in dry,Room Temperature
- 수용성
- 물에 거의 녹지 않음
- 물리적 상태
- powder to crystal
- 산도 계수 (pKa)
- 0.85 · 0.85±0.20(Predicted)
- 색상
- 흰색에서 밝은 노란색
- InChI
- 1S/C12H20N2S6/c15-11(13-7-3-1-4-8-13)17-19-20-18-12(16)14-9-5-2-6-10-14/h1-10H2
- InChIKey
- VNDRMZTXEFFQDR-UHFFFAOYSA-N
- SMILES
- S=C(SSSSC(=S)N1CCCCC1)N2CCCCC2
- EPA
- Dipentamethylenethiuram tetrasulfide (120-54-7)
안전 및 규제
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 15% (24 of 160) of reports.
Warning
H317 (20.6%): 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 160 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: Piperidine, 1,1'-(tetrathiodicarbonothioyl)bis-
Methanethione, 1,1'-tetrathiobis[1-(1-piperidinyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Methanethione, 1,1'-tetrathiobis[1-(1-piperidinyl)- 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)
Piperidine, 1,1'-(tetrathiodicarbonothioyl)bis-: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
Intraperitoneal LD50 (mouse) = 200 mg/kg; [RTECS] A skin sensitizer; [Kanerva, p. 1788] Commercial product contains 0.3% white mineral oil (CAS# 8042-47-5); A respiratory tract irritant; Ingestion may cause headache, dizziness, nausea, and vomiting; May cause an intolerance for alcohol; [R.T. Vanderbilt MSDS] See Disulfiram and Thiuram mix.
독성 정보
안전 데이터
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- TN4221000
- ridadr
- UN 3077 9 / PGIII
- 독성
- mouse,LD50,intraperitoneal,200mg/kg (200mg/kg),National Technical Information Service. Vol. AD277-689,
- HS 번호
- 2930.30.6000
- risk_code
- 20/21/22-51/53
- hazard_code
- N
- safety_code
- 26-36/37/39-61
- 기존화학 물질
- KE-33708
- Hazard Classifications
- Aquatic Chronic 2
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
용도 및 제조
General Manufacturing Information
All Other Chemical Product and Preparation Manufacturing
Methanethione, 1,1'-tetrathiobis[1-(1-piperidinyl)-: ACTIVE
응용 분야
용도Tetrasulfanediylbis(piperidin-1-ylmethanethione) is a thiuram type accelerators used in the self-healing, reshaping, and recycling of vulcanized rubber
상·하류 제품 정보
상류 원료
공급사50 곳
관련 반응
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