기본 정보
- 표준 SMILES
COc1cccc2sc(N)nc12- InChIKey
YEBCRAVYUWNFQT-UHFFFAOYSA-N- 분자식
- C8H8N2OS
- 평균 분자량
- 180.23 g/mol
- 단동위원소 질량
- 180.03573406
이름 및 식별자
- 우선 이름
- 4-Methoxy-2-aminobenzothiazole
- IUPAC
- 4-methoxy-1,3-benzothiazol-2-amine
- 현지명
- 4-메톡시-2-아미노벤조티아졸
- 영어명
- 4-Methoxy-2-aminobenzothiazole
- 분자식
- C8H8N2OS
- 분자량
- 180.23
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
5464-79-9- PubChem CID
- 21622
- DTXSID
DTXSID4024484- ChEMBL
CHEMBL1487454- UNII
- 7E3D8644F2
- EC Number
- 226-763-1
- Nikkaji
- J41.961C
물성
구조 계산 물성
- XLogP
- 2
- 극성 표면적
- 76.4 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 12
- 형식 전하
- 0
- 복잡도
- 167
실험 및 물리화학적 성질
물리화학적 성질
- 녹는점
- 153 · 153-155 °C (lit.)
- 끓는 점
- 240 °C · 240°C (rough estimate)
- 밀도
- 1.2425 · 1.2425 (rough estimate)
- 굴절률
- 1.569 · 1.5690 (estimate)
- 저장 조건
- Keep in dark place,Inert atmosphere,Room temperature
- 물리적 상태
- 결정성 분말
- 산도 계수 (pKa)
- 4.09 · 4.09±0.10(Predicted)
- 색상
- 베이지색
- 수용성
- 19.5 · 19.5&C에서 <0.1g/100mL
- BRN
- 141363 · 141363
- InChI
- InChI=1S/C8H8N2OS/c1-11-5-3-2-4-6-7(5)10-8(9)12-6/h2-4H,1H3,(H2,9,10)
- InChIKey
- YEBCRAVYUWNFQT-UHFFFAOYSA-N
- SMILES
- S1C2=CC=CC(OC)=C2N=C1N
- EPA
- 2 · 2-Amino-4-methoxybenzothiazole (5464-79-9)
화학적 성질
Beige crystalline powder
안전 및 규제
GHS 분류
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (89.1%): Harmful in contact with skin [Warning Acute toxicity, dermal];H332 (89.1%): Harmful if inhaled [Warning Acute toxicity, inhalation]
P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 46 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
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.;SKIN: IMMEDIATELY flood affected skin with water while removing and isolating all contaminated clothing. Gently wash all affected skin areas thoroughly with soap and water. If symptoms such as redness or irritation develop, IMMEDIATELY call a physician and be prepared to transport the victim to a hospital for treatment.;INHALATION: IMMEDIATELY leave the contaminated area; take deep breaths of fresh air. If symptoms (such as wheezing, coughing, shortness of breath, or burning in the mouth, throat, or chest) develop, call a physician and be prepared to transport the victim to a hospital. Provide proper respiratory protection to rescuers entering an unknown atmosphere. Whenever possible, Self-Contained Breathing Apparatus (SCBA) should be used; if not available, use a level of protection greater than or equal to that advised under Protective Clothing.;INGESTION: DO NOT INDUCE VOMITING. If the victim is conscious and not convulsing, give 1 or 2 glasses of water to dilute the chemical and IMMEDIATELY call a hospital or poison control center. Be prepared to transport the victim to a hospital if advised by a physician. If the victim is convulsing or unconscious, do not give anything by mouth, ensure that the victim's airway is open and lay the victim on his/her side with the head lower than the body. DO NOT INDUCE VOMITING. IMMEDIATELY transport the victim to a hospital. (NTP, 1992)
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.;STORAGE PRECAUTIONS: You should store this material under ambient temperatures. (NTP, 1992)
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
- rtecs
- DL2000000
- HS 번호
- 29342000
- risk_code
- 20/21/22
- hazard_code
- Xn,Xi
- safety_code
- 36
- 위험 참고 사항
- Harmful
- Hazard Classifications
- Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 Oral
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
일반 설명Beige chunky solid.
상·하류 제품 정보
상류 원료
하류 제품
공급사50 곳
관련 반응
연결된 노트
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