기본 정보
- 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
이름 더 보기
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 물성
- 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
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)
- InChIKey
- GRIATXVEXOFBGO-UHFFFAOYSA-N
- SMILES
- Cc1cccc2sc(N)nc12
- LogP
- 0.981 · 0.981-1.65 at 25℃ and pH7.2
- NIST
- 2 · 2-Benzothiazolamine, 4-methyl-(1477-42-5)
- EPA
- 2 · 2-Amino-4-methylbenzothiazole (1477-42-5)
화학적 성질
OFF-WHITE TO SLIGHTLY BEIGE CRYSTALLINE POWDER
안전 및 규제
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
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.
안전 및 보호
First Aid
EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.
Nonfire Spill Response
SMALL SPILLS AND LEAKAGE: Should a spill occur while you are handling this chemical, FIRST REMOVE ALL SOURCES OF IGNITION, then you should dampen the solid spill material with 60-70% ethanol and transfer the dampened material to a suitable container. Use absorbent paper dampened with 60-70% ethanol to pick up any remaining material. Seal the absorbent paper, and any of your clothes, which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with 60-70% ethanol followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.
Personal Protective Equipment (PPE)
RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- DL2275000
- HS 번호
- 29342000
- risk_code
- 22
- hazard_code
- Xn
- safety_code
- 26-28-36/37/39-24/25
- 기존화학 물질
- KE-01452
- Hazard Classifications
- Acute Tox. 4 Oral
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
용도 및 제조
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
공급사50 곳
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