기본 정보
- CAS
1072-71-5- 표준 SMILES
S=c1[nH][nH]c(=S)s1- InChIKey
BIGYLAKFCGVRAN-UHFFFAOYSA-N- 분자식
- C2H2N2S3
- 평균 분자량
- 150.3 g/mol
- 단동위원소 질량
- 149.93801159
개요
reagent for colorimetric anal of lead; RN given refers to parent cpd
이름 및 식별자
- 우선 이름
- 2,5-Dimercapto-1,3,4-thiadiazole
- IUPAC
- 1,3,4-thiadiazolidine-2,5-dithione
- 현지명
- 2,5-디메르캅토-1,3,4-티아디아졸
- 영어명
- Bismuththiol
- 분자식
- C2H2N2S3
- 분자량
- 150.25
이름 및 동의어
2,5-Dimercapto-1,3,4-thiadiazole1072-71-5Bismuthiol I1,3,4-Thiadiazolidine-2,5-dithioneBismuthiol2,5-DimercaptothiadiazoleVanchem DMTDPY 61HDTXSID60401152S78T9T08CNSC-4645DTXCID4020115
이름 더 보기
2,5-다이메르캅토-1,3,4-티아디아졸2,5-디메르캅토-1,3,4-티아디아졸2,5-디멜캅토-1,3,4-티아디아졸DMTDDMTZpy61hNSC4645USAF A-
bismuthol IRefChem:828812,5-dimercapto-1-thia-3,4-diazole5-mercapto-1,3,4-thiadiazolidine-2-thione214-014-11,3,4-THIADIAZOLE-2,5-DITHIOLDimercaptothiadiazoleUSAF A-8354
데이터베이스 식별자
- CAS
1072-71-5- PubChem CID
- 2723630
- DTXSID
DTXSID6040115- ChEMBL
CHEMBL3185279- UNII
- 2S78T9T08C
- EC Number
- 214-014-1
- Nikkaji
- J9.482J
물성
구조 계산 물성
- XLogP
- 1.3
- 극성 표면적
- 114 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 7
- 형식 전하
- 0
- 복잡도
- 106
실험 및 물리화학적 성질
Chemical ClassesOther Classes -> Sulfur Compounds
Endocrine DisruptorsPotential endocrine disrupting compound
Physical Description
Liquid; Dry Powder
Slightly yellow solid with an irritating odor; [NTP] Yellow powder with a stench; [Alfa Aesar MSDS]
물리화학적 성질
- 녹는점
- 162 °C · 162 °C (dec.)(lit.)
- 끓는 점
- 211.3 · 211.3±23.0 °C(Predicted)
- 밀도
- 1.575 · 1.575 (estimate)
- 증기압
- 0.013 Pa · 0.013Pa at 20℃
- 굴절률
- 1.53 · 1.5300 (estimate)
- 저장 조건
- 30 °C · Store below +30°C.
- 물리적 상태
- 가루
- 산도 계수 (pKa)
- 5.66 · 5.66±0.20(Predicted)
- 색상
- 황백색에서 노란색까지
- 수용성
- 20 g/L · 20g/L(20℃)
- BRN
- 113444 · 113444
- InChI
- 1S/C2H2N2S3/c5-1-3-4-2(6)7-1/h(H,3,5)(H,4,6)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H302 (92.1%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P273, P280, P301+P317, P305+P351+P338, P305+P354+P338, P317, P330, P337+P317, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 572 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: 1,3,4-Thiadiazolidine-2,5-dithione
1,3,4-Thiadiazolidine-2,5-dithione is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,3,4-Thiadiazolidine-2,5-dithione 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: 1,3,4-thiadiazole-2,5-dithiol (EC: 214-014-1)
1,3,4-Thiadiazolidine-2,5-dithione: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
A severe eye irritant; [RTECS] An irritant that can cause chemical conjunctivitis; Report of 7 cases of allergic sensitization from a manufacturing plant; A derivative (CUVAN 826) is a contact sensitizer in guinea pigs; [NTP] An irritant that may cause serious eye injury; Harmful by ingestion; Oral LD50 (rat) = 1,616 mg/kg; [Alfa Aesar MSDS]
Hazard Classes and CategoriesAcute Tox. 4 (92.1%)
독성 정보
Adverse EffectsSkin Sensitizer - An agent that can induce an allergic reaction in the skin.
Toxicity Data
화학 및 산업
용도 및 제조
Uses
Used in flame and scorch retardant products, to make polymers, heavy metal salts, basic salts, pharmaceuticals, and dyes, in cross linking halogenated polymers, electrode compositions, photography, as an additive in lubricating oils and greases, corrosion inhibitor (for metals, metal coatings, and paints), chelating agent in metal analysis, adhesion improver, biocide, and for purifying and treating wastewater; [NTP]
Painting (Pigments, Binders, and Biocides) [Category: Paint]
U.S. Production2023: 550,000 - <700,000 lb
Consumer UsesLubricating agent
Industry UsesOther
General Manufacturing Information
Petroleum Lubricating Oil and Grease Manufacturing
1,3,4-Thiadiazolidine-2,5-dithione: ACTIVE
응용 분야
개요Dimercapto-1,3,4-thiadiazole (DMTD) is a low-molecular- weight aromatic compound used in the production of cop per corrosion inhibitors for engine oils, flame retardants and photographic development chemicals. Seven cases of industrial allergic sensitization were reported in a manufacturing plant.
용도Pharmaceutical intermediates; metallic passivator;antioxidant
상·하류 제품 정보
상류 원료
하류 제품
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…