기본 정보
- CAS
27231-33-0- 표준 SMILES
Cc1cccc2[nH]c(=S)[nH]c12- InChIKey
UDQCDDZBBZNIFA-UHFFFAOYSA-N- 분자식
- C8H8N2S
- 평균 분자량
- 164.23 g/mol
- 단동위원소 질량
- 164.04081926
개요
structure in first source
이름 및 식별자
- 우선 이름
- Methyl-2-mercaptobenzimidazole
- IUPAC
- 4-methyl-1,3-dihydrobenzimidazole-2-thione
- 영어명
- 2H-Benzimidazole-2-thione,1,3-dihydro-4-methyl-(9CI)
- 분자식
- C8H8N2S
- 분자량
- 164.23
이름 및 동의어
53988-10-6Methyl-2-mercaptobenzimidazole2-Mercaptomethylbenzimidazole2H-Benzimidazole-2-thione, 1,3-dihydro-4(or 5)-methyl-DTXSID9052185RefChem:414458DTXCID501079544258-904-827231-33-04-Methyl-1H-benzo[d]imidazole-2(3H)-thione4-methyl-1H-benzimidazole-2-thiol2-Mercaptotoluimidazole
이름 더 보기
Antioxidant ZMBI(MBZ)2-MERCAPTO-4-METHYLBENZIMIDAZOLE4-Methyl-1,3-dihydro-benzoimidazole-2-thione1,3-Dihydro-4-methyl-2H-benzimidazole-2-thione2H-Benzimidazole-2-thione,1,3-dihydro-4-methyl-(9CI)
2H-Benzimidazole-2-thione, 1,3-dihydro-4-methyl-4-methyl-1,3-dihydrobenzimidazole-2-thione4-Methyl-2-mercaptobenzimidazoleMFCD032656474-methyl-1H-1,3-benzodiazole-2-thiolMFCD057224294-methyl-1,3-dihydro-2H-benzo[d]imidazole-2-thione1,3-Dihydro-4(or 5)-methyl-2H-benzimidazole-2-thione
데이터베이스 식별자
- CAS
27231-33-0、53988-10-6- PubChem CID
- 3034478
- DTXSID
DTXSID2067290- ChEMBL
CHEMBL4879224- EC Number
- 112-553-6、258-904-8
- Nikkaji
- J269.486G、J3.730.219H
물성
구조 계산 물성
- XLogP
- 1.5
- 극성 표면적
- 56.2 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 11
- 형식 전하
- 0
- 복잡도
- 181
실험 및 물리화학적 성질
Physical DescriptionLarge Crystals; Wet Solid; Dry Powder; Wet Solid
물리화학적 성질
- 끓는 점
- 276.8 · 276.8±33.0 °C(Predicted)
- 밀도
- 1.32 · 1.32±0.1 g/cm3(Predicted)
- 저장 조건
- 2 · 2-8°C
- 산도 계수 (pKa)
- 10.6 · 10.60±0.30(Predicted)
- EPA
- 2 H-Benzimidazole-2-thione, · 2H-Benzimidazole-2-thione, 1,3-dihydro-4-methyl- (27231-33-0)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 1.1% (1 of 94) of reports.
Danger
H302+H332 (39.4%): Harmful if swallowed or if inhaled [Warning Acute toxicity, oral; acute toxicity, inhalation]
P203, P260, P261, P264, P270, P271, P273, P280, P301+P317, P304+P340, P317, P318, P319, P330, P391, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 94 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Danger
유해성 정보
Regulatory Information
Chemical: 2H-Benzimidazole-2-thione, 1,3-dihydro-4(or 5)-methyl-
2H-Benzimidazole-2-thione, 1,3-dihydro-4(or 5)-methyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2H-Benzimidazole-2-thione, 1,3-dihydro-4(or 5)-methyl- 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: 07-06-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/15889
2H-Benzimidazole-2-thione, 1,3-dihydro-4(or 5)-methyl-: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationEvaluation - Mercaptobenzimidazoles and their zinc salts
Hazard Classes and Categories
Acute Tox. 4 (98.9%)
Acute Tox. 3 (100%)
안전 데이터
- tsca
- TSCA listed
화학 및 산업
용도 및 제조
U.S. Production2023: 100,000 - <250,000 lb
Consumer UsesProcessing aids not otherwise specified
Industry UsesStabilizing agent
General Manufacturing Information
Miscellaneous Manufacturing
2H-Benzimidazole-2-thione, 1,3-dihydro-4-methyl-: INACTIVE
2H-Benzimidazole-2-thione, 1,3-dihydro-4(or 5)-methyl-: ACTIVE
상·하류 제품 정보
상류 원료
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