Thiazole
1,3-THIAZOLE · FEMA 3615 · THIAZOLE · Thiazole >Thiazole,98% · THIAZOLE 99+% · FEMA NUMBER 3615 · THIAN-4-ONEOXIME · Thiazole in methanol
식별자 및 물리적 특성
| CAS No. | 288-47-1 |
|---|---|
| 분자식 | C3H3NS |
| 평균 분자량 | 85.13 g/mol |
| 단동위원소 질량 | 84.9986201 g/mol |
| SMILES | c1cscn1 |
| InChIKey | FZWLAAWBMGSTSO-UHFFFAOYSA-N |
| PubChem CID | 9256 |
| ChEMBL | CHEMBL15605 |
| ChEBI | CHEBI:43732 |
| EC No. | 206-021-3 |
| DTXSID | DTXSID2059776 |
화학 및 물리적 성질
| XLogP | 0.4 |
|---|---|
| 극성 표면적 | 41.1 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 2 |
| 회전 가능 결합 수 | 0 |
| 무거운 원자 수 | 5 |
| 형식 전하 | 0 |
| 복잡도 | 30.1 |
| 물질 분류 | Nitrogen Compounds -> Thiazoles |
| SpringerMaterials Properties | 15N nuclear magnetic resonance spectrum |
| LogP(분배 계수) | 0.44 |
| 식품 첨가물 | FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
| 밀도 | 1.1998 (NTP, 1992) - Denser than waterwill sink1.198-1.2021.2 g/mL at 25 °C (lit.) |
| 용해도 | Slightly soluble (NTP, 1992)Slightly soluble in waterSoluble in etherMiscible at room temperature (in ethanol) |
| 끓는 점 | 242.2 °F at 760 mmHg (NTP, 1992)115.00 to 118.00 °C. @ 760.00 mm Hg115-118 °C117-118 °C (lit.) |
| 굴절률 | 1.531-1.541n20/D 1.538(lit.) |
| Physical Description | Thiazole appears as colorless or pale yellow liquid with a foul odor. (NTP, 1992)Colorless or light yellow liquid with a foul characteristic odor[Merck Index] Colorless liquid with an unpleasant odor[Alfa Aesar MSDS]Colourless to pale yellow liquidgreen, sweet, nutty, tomatoe note |
| 녹는점 | -33°C |
| FEMA | 3615 | THIAZOLE |
| 인화점 | 72 °F |
| 저장 조건 | Keep in dark place,Inert atmosphere,2-8°C |
| pKa(산도 계수) | 2.44(at 20℃) |
| 물리적 상태 | 액체 |
| 색상 | 무색~황색으로 투명함 |
| 비중 | 1.200 |
| 냄새 | 프로필렌 글리콜 중 0.10%. 피리딘 열매가 많은 고기 |
| 향취 유형 | 비린내 |
| 생물학적 소스 | synthetic |
| 용해도 | 약간 용해됨 |
| Merck | 14,9307 |
| JECFA Number | 1032 |
| BRN | 103852 |
| 안정성 | 안정적인. 강한 산화제와 호환되지 않습니다. |
| InChI | 1S/C3H3NS/c1-2-5-3-4-1/h1-3H |
| InChIKey | FZWLAAWBMGSTSO-UHFFFAOYSA-N |
| SMILES | c1cscn1 |
| LogP(분배 계수) | 0.44 |
| NIST | Thiazole(288-47-1) |
| EPA | Thiazole (288-47-1) |
화학적 성질
Thiazole has a green, sweet, nutty, tomato note.
안전 및 규제
| GHS 분류 | DangerH225 (86.3%): Highly Flammable liquid and vapor [Danger Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 307 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 규제 정보 | Chemical: ThiazoleCommission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)Thiazole: Does not have an individual approval but may be used under an appropriate group standard |
| 운송 라벨(DOT) | Combustible Liquid |
| 화재 위험 | Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]: |
| 건강 유해성 | Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]: |
| 유해성 요약 | An eye irritantHarmful by ingestion[Alfa Aesar MSDS] See 4-Methylthiazole. |
| 반응성 그룹 | Amines, Phosphines, and Pyridines |
| Reactivity Profile | THIAZOLE, An organosulfide amine derivative. 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. |
| Air and Water Reactions | Slightly water soluble. |
| Hazard Classes and Categories | Flam. Liq. 2 (86.3%) |
| 소화 | Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]: |
| 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. |
용도
출처
Reported found in roasted chicken, chicken fat, boiled and cooked beef, grilled and roasted beef, pork liver, beer, cognac and other types of grape brandy, rum, coffee, roasted barley, roasted filbert, roasted peanut, soybean, popcorn, oat products, rice bran, buckwheat, malt, wort, dried bonito, crab, crayfish, Chinese quince and other natural sources.
용도
Thiazole is used as a flavoring agent and in the preparation of dyes and rubber accelerators. It serves as a component of the vitamin thiamine (B1). It acts as a protected formyl group used in natural product synthesis. It reacts with alkyl lithium and Grignards reagent to prepare organometallic complexes. It is involved in the electrophilic aromatic substitution and nucleophilic aromatic substitution at C-5 and C-2 positions respectively. Further, it undergoes alkylation reaction to get thiazolium cation, which is used as a catalyst in the Stetter reaction and the Benzoin condensation. In addition to this, it is involved in the preparation of alagebrium.
일반 설명
Colorless or pale yellow liquid with a foul odor.