Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
2-아미노-6-에톡시벤조티아졸
2-아미노-6-에톡시벤조티아졸 · 6-ethoxybenzo[d]thiazol-2-amine · C9H10N2OS · ASISCHEM B88986 · AKOS BBS-00005697 · IFLAB-BB F0863-0001 · TIMTEC-BB SBB003602 · LABOTEST-BB LT00138932
식별자 및 물리적 특성
| CAS No. | 94-45-1 |
|---|---|
| 분자식 | C9H10N2OS |
| 평균 분자량 | 194.26 g/mol |
| 단동위원소 질량 | 194.05138394 g/mol |
| SMILES | CCOc1ccc2nc(N)sc2c1 |
| InChIKey | KOYJWFGMEBETBU-UHFFFAOYSA-N |
| PubChem CID | 7192 |
| ChEMBL | CHEMBL565755 |
| EC No. | 202-333-9 |
| DTXSID | DTXSID9024481 |
| 현지명 | 2-아미노-6-에톡시벤조티아졸 |
화학 및 물리적 성질
| XLogP | 2.8 |
|---|---|
| 극성 표면적 | 76.4 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 4 |
| 회전 가능 결합 수 | 2 |
| 무거운 원자 수 | 13 |
| 형식 전하 | 0 |
| 복잡도 | 179 |
| SpringerMaterials Properties | Nuclear quadrupole resonance spectroscopy |
| LogP(분배 계수) | 2.4 |
| 용해도 | less than 1 mg/mL at 73 °F (NTP, 1992) |
| 녹는점 | 322 to 325 °F (NTP, 1992)161-163 °C (lit.) |
| Physical Description | 2-amino-6-ethoxybenzothiazole is an off-white powder. (NTP, 1992) |
| 끓는 점 | 356.1±34.0 °C(Predicted) |
| 밀도 | 1.2164 (rough estimate) |
| 굴절률 | 1.6800 (estimate) |
| 저장 조건 | 2-8°C(protect from light) |
| pKa(산도 계수) | 4.75±0.10(Predicted) |
| 물리적 상태 | 액체 |
| 색상 | 무색~황색으로 투명함 |
| 용해도 | 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-Amino-6-ethoxybenzothiazole (94-45-1) |
화학적 성질
off-white powder
안전 및 규제
| GHS 분류 | WarningH302 (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. |
|---|---|
| 규제 정보 | Chemical: 2-Benzothiazolamine, 6-ethoxy- |
| 화재 위험 | Flash point data for this chemical are not available. It is probably combustible. (NTP, 1992) |
| 건강 유해성 | ACUTE/CHRONIC HAZARDS: When heated to decomposition this compound may emit toxic fumes of NOx and SOx. (NTP, 1992) |
| 반응성 그룹 | Amines, 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. |
| Air and Water Reactions | Insoluble in water. |
| Hazard Classes and Categories | Acute Tox. 4 (97.8%) |
| 소화 | Fires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992) |
| 응급 처치 | 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. |
| 비화재 누출 대응 | 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) |
| 수질 위해 등급(WGK) | 3 |
| 관세 코드 | 29349990 |
| 위험 문구(R) | 20/21/22-36/37/38 |
| 위험 표시 | Xn |
| 안전 문구(S) | 26-36 |
| 위험 등급 | Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| 저장 분류 | 11 - Combustible Solids |
용도
일반 설명
Off-white powder.