기본 정보
- 표준 SMILES
CCOc1ccc2nc(N)sc2c1- InChIKey
KOYJWFGMEBETBU-UHFFFAOYSA-N- 분자식
- C9H10N2OS
- 평균 분자량
- 194.26 g/mol
- 단동위원소 질량
- 194.05138394
개요
2-amino-6-ethoxybenzothiazole is an off-white powder. (NTP, 1992)
이름 및 식별자
- 우선 이름
- Amino-6-ethoxybenzothiazole, 2-
- IUPAC
- 6-ethoxy-1,3-benzothiazol-2-amine
- 현지명
- 2-아미노-6-에톡시벤조티아졸
- 영어명
- 2-Amino-6-ethoxybenzothiazole
- 분자식
- C9H10N2OS
- 분자량
- 194.25
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
94-45-1- PubChem CID
- 7192
- DTXSID
DTXSID9024481- ChEMBL
CHEMBL565755- UNII
- D621HZ191D
- EC Number
- 202-333-9
- Nikkaji
- J37.324I
물성
구조 계산 물성
- XLogP
- 2.8
- 극성 표면적
- 76.4 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 13
- 형식 전하
- 0
- 복잡도
- 179
실험 및 물리화학적 성질
물리화학적 성질
- 녹는점
- 161 · 161-163 °C (lit.)
- 끓는 점
- 356.1 · 356.1±34.0 °C(Predicted)
- 밀도
- 1.2164 · 1.2164 (rough estimate)
- 굴절률
- 1.68 · 1.6800 (estimate)
- 저장 조건
- 2 · 2-8°C(protect from light)
- 산도 계수 (pKa)
- 4.75 · 4.75±0.10(Predicted)
- 물리적 상태
- 액체
- 색상
- 무색~황색으로 투명함
- 수용성
- 23 · 23&C에서 <0.1g/100mL
- 안정성
- 안정적인. 강한 산화제와 호환되지 않습니다.
- InChI
- 1S/C9H10N2OS/c1-2-12-6-3-4-7-8(5-6)13-9(10)11-7/h3-5H,2H2,1H3,(H2,10,11)
- InChIKey
- KOYJWFGMEBETBU-UHFFFAOYSA-N
- SMILES
- CCOc1ccc2nc(N)sc2c1
- EPA
- 2 · 2-Amino-6-ethoxybenzothiazole (94-45-1)
화학적 성질
off-white powder
안전 및 규제
GHS 분류
GHS Classification
Warning
H302 (97.8%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
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
- HS 번호
- 29349990
- risk_code
- 20/21/22-36/37/38
- hazard_code
- Xn
- safety_code
- 26-36
- Hazard Classifications
- Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
일반 설명Off-white powder.
상·하류 제품 정보
상류 원료
하류 제품
공급사50 곳
관련 반응
연결된 노트
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