Thiazole
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기본 정보
- CAS
288-47-1- 표준 SMILES
c1cscn1- InChIKey
FZWLAAWBMGSTSO-UHFFFAOYSA-N- 분자식
- C3H3NS
- 평균 분자량
- 85.13 g/mol
- 단동위원소 질량
- 84.9986201
개요
Thiazole appears as colorless or pale yellow liquid with a foul odor. (NTP, 1992)
이름 및 식별자
- 우선 이름
- Thiazole
- IUPAC
- 1,3-thiazole
- 영어명
- Thiazole
- 분자식
- C3H3NS
- 분자량
- 85.13
이름 및 동의어
THIAZOLE288-47-11,3-ThiazoleThiazolesFEMA No. 3615320RCW8PEFDTXSID2059776CHEBI:43732RefChem:897653DTXCID4037875CHEBI:48901206-021-3
이름 더 보기
FEMA 3615Thiazole >Thiazole,98%THIAZOLE 99+%FEMA NUMBER 3615Thiazole in methanolThiazole (6CI, 8CI, 9CI, ACI)
MFCD00005315THIAN-4-ONEOXIMEthiazoltzCCRIS 3205EINECS 206-021-3UNII-320RCW8PEFBRN 0103852
데이터베이스 식별자
- CAS
288-47-1- PubChem CID
- 9256
- DTXSID
DTXSID2059776- ChEMBL
CHEMBL15605- ChEBI
CHEBI:43732- UNII
- 320RCW8PEF
- EC Number
- 206-021-3
- Nikkaji
- J26D
물성
구조 계산 물성보충 중
- XLogP
- 0.4
- 극성 표면적
- 41.1 Ų
- 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
실험 및 물리화학적 성질
Chemical ClassesNitrogen Compounds -> Thiazoles
SpringerMaterials Properties15N nuclear magnetic resonance spectrum
LogP
0.44
0.44
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density
1.1998 (NTP, 1992) - Denser than water; will sink
1.198-1.202
Solubility
Slightly soluble (NTP, 1992)
Slightly soluble in water; Soluble in ether
Miscible at room temperature (in ethanol)
Boiling Point
242.2 °F at 760 mmHg (NTP, 1992)
115.00 to 118.00 °C. @ 760.00 mm Hg
115-118 °C
Refractive Index1.531-1.541
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]
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H225 (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.
유해성 정보
Regulatory Information
Chemical: Thiazole
Commission 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
DOT LabelCombustible Liquid
Fire HazardsExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
Health HazardsExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
Hazards SummaryAn eye irritant; Harmful by ingestion; [Alfa Aesar MSDS] See 4-Methylthiazole.
Reactive GroupAmines, 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.
화학 및 산업
약리 정보
Cellular LocationsCytoplasm
용도 및 제조
UsesUsed as a flavoring agent; [FDA] Used to make fungicides, dyes, and rubber accelerators; [NTP]
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
General Manufacturing InformationThiazole: ACTIVE
응용 분야
출처Reported 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.
용도Thiazole 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 설명Colorless or pale yellow liquid with a foul odor.
상·하류 제품 정보
상류 원료
관련 반응
420건
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