2-아미노-4-메틸벤조티아졸
2-Amino-4-methylbenzothiazole
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기본 정보
- CAS
1477-42-5- 표준 SMILES
Cc1cccc2sc(N)nc12- InChIKey
GRIATXVEXOFBGO-UHFFFAOYSA-N- 분자식
- C8H8N2S
- 평균 분자량
- 164.23 g/mol
- 단동위원소 질량
- 164.04081926
개요
2-amino-4-methylbenzothiazole is a white powder. (NTP, 1992)
이름 및 식별자
- 우선 이름
- 2-Amino-4-methylbenzothiazole
- IUPAC
- 4-methyl-1,3-benzothiazol-2-amine
- 현지명
- 2-아미노-4-메틸벤조티아졸
- 영어명
- 2-Amino-4-methylbenzothiazole
- 분자식
- C8H8N2S
- 분자량
- 164.23
이름 및 동의어
2-AMINO-4-METHYLBENZOTHIAZOLE1477-42-52-Benzothiazolamine, 4-methyl-4-Methyl-2-benzothiazolamine4-Methyl-2-aminobenzothiazoleBenzothiazole, 2-amino-4-methyl-4-Methylbenzothiazol-2-ylamineDTXSID9024487DTXCID40448745V5F1B9Z8NSC-28732RefChem:464333
이름 더 보기
2-아미노-4-메틸벤조티아졸AURORA 187422-Amino-4-methylbenzLABOTEST-BB LT000807894-methyl-2-benzothiazolamin4-methyl-2-amimobenzothiazol4-methyl-2-amimobenzothiagol4-Methylbenzothiazol-2-amine
216-028-34-methylbenzo[d]thiazol-2-amine4-Methyl-1,3-benzothiazol-2-amine4-Methyl-2-aminobenzothiozoleMFCD000057932-Amino-4-methyl benzothiazoleSCHEMBL949374-Methylbenzothiazole-2-ylamine
데이터베이스 식별자
- CAS
1477-42-5- PubChem CID
- 15132
- DTXSID
DTXSID9024487- ChEMBL
CHEMBL1343355- UNII
- 45V5F1B9Z8
- EC Number
- 216-028-3
- Nikkaji
- J24.676J
물성
구조 계산 물성보충 중
- XLogP
- 2.4
- 극성 표면적
- 67.2 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 11
- 형식 전하
- 0
- 복잡도
- 151
실험 및 물리화학적 성질
Solubilityless than 1 mg/mL at 75 °F (NTP, 1992)
Melting Point279 to 282 °F (NTP, 1992)
Physical Description
2-amino-4-methylbenzothiazole is a white powder. (NTP, 1992)
Dry Powder
물리화학적 성질
- 녹는점
- 137 · 137-139 °C (lit.)
- 끓는 점
- 322 · 322.0±35.0 °C(Predicted)
- 밀도
- 1.1724 · 1.1724 (rough estimate)
- 증기압
- 0.053 Pa · 0.053Pa at 25℃
- 굴절률
- 1.57 · 1.5700 (estimate)
- 저장 조건
- Keep in dark place,Sealed in dry,Room Temperature
- 물리적 상태
- Solid:particulate/powder
- 산도 계수 (pKa)
- 1 · pK1: 4.7(+1) (25°C)
- 색상
- 흰색에서 밝은 노란색
- 수용성
- 24 · 24 ºC에서 <0.1g/100mL
- BRN
- 129346 · 129346
- InChI
- 1S/C8H8N2S/c1-5-3-2-4-6-7(5)10-8(9)11-6/h2-4H,1H3,(H2,9,10)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (97.3%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 75 reports by companies from 3 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory Information
2-Benzothiazolamine, 4-methyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Benzothiazolamine, 4-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: 06-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/24545
Fire HazardsFlash point data for this chemical are not available. It is probably combustible. (NTP, 1992)
Health HazardsACUTE/CHRONIC HAZARDS: When heated to decomposition this compound emits very toxic fumes of SOx and NOx. (NTP, 1992)
Reactive GroupAmines, Phosphines, and Pyridines
Reactivity Profile
An amine, organosulfide. Organosulfides are incompatible with acids, diazo and azo compounds, halocarbons, isocyanates, aldehydes, alkali metals, nitrides, hydrides, and other strong reducing agents. Reactions with these materials generate heat and in many cases hydrogen gas. Many of these compounds may liberate hydrogen sulfide upon decomposition or reaction with an acid. Amines are chemical bases. They neutralize acids to form salts plus water. These acid-base reactions are exothermic. The amount of heat that is evolved per mole of amine in a neutralization is largely independent of the strength of the amine as a base. Amines may be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Flammable gaseous hydrogen is generated by amines in combination with strong reducing agents, such as hydrides.
화학 및 산업
용도 및 제조
U.S. Production2022: 70,547 lb
Industry UsesIntermediate
General Manufacturing Information
Synthetic Dye and Pigment Manufacturing
2-Benzothiazolamine, 4-methyl-: ACTIVE
응용 분야
용도2-Amino-4-methylbenzothiazole was used in the synthesis of N-(4-methyl-1,3-benzothiazol-yl)-N-[(1,4,5,8-tetramethoxy-2-napthyl)methylidene]amine and Schiff′s base via condensation with 2-acetonaphthone.
일반 설명White powder.
상·하류 제품 정보
상류 원료
하류 제품
관련 반응
30건
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