기본 정보
- 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
이름 더 보기
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 물성
- 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
LogP
0.44
0.44
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
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]
Liquid
Colourless to pale yellow liquid; green, sweet, nutty, tomatoe note
물리화학적 성질
- 녹는점
- -33 °C · -33°C
- 끓는 점
- 117 · 117-118 °C (lit.)
- 밀도
- 1.2 g/mL · 1.2 g/mL at 25 °C (lit.)
- 굴절률
- 20 · n20/D 1.538(lit.)
- FEMA
- 3615 · 3615 | THIAZOLE
- 인화점
- 72 °F · 72 °F
- 저장 조건
- 2 · Keep in dark place,Inert atmosphere,2-8°C
- 산도 계수 (pKa)
- 2.44 · 2.44(at 20℃)
- 물리적 상태
- 액체
- 색상
- 무색~황색으로 투명함
- Specific Gravity
- 1.2 · 1.200
- 냄새
- 0.1 % · 프로필렌 글리콜 중 0.10%. 피리딘 열매가 많은 고기
- 냄새 유형
- 비린내
- 생물학적 소스
- synthetic
- 수용성
- 약간 용해됨
- Merck
- 14 · 14,9307
- JECFA Number
- 1032 · 1032
- BRN
- 103852 · 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
- 0.44 · 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
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
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.
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.
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
- tsca
- TSCA listed
- rtecs
- XJ1290000
- ridadr
- UN 1993 3/PG 3
- HS 번호
- 29341000
- risk_code
- 10-22-37/38-41
- hazard_code
- Xn,F
- safety_code
- 16-26-39
- 포장분류
- II
- 위험 등급
- 3
- F 고인화성물질
- 8-10-23
- Hazard Classifications
- Acute Tox. 4 OralFlam. Liq. 2
- 스토리지 클래스
- 3 - Flammable liquids
화학 및 산업
약리 정보
용도 및 제조
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
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
하류 제품
공급사50 곳
추가 설명
정의thiazole: A heterocyclic compound containing a five-membered ringwith sulphur and nitrogen heteroatoms, C3SNH3. A range of thiazoledyes are manufactured containingthis ring system.
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