Thiazole

HCID 9256CAS 288-47-1

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

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 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

실험 및 물리화학적 성질

Chemical ClassesNitrogen Compounds -> Thiazoles
SpringerMaterials Properties15N nuclear magnetic resonance spectrum
LogP · 2건

0.44

0.44

Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density · 2건

1.1998 (NTP, 1992) - Denser than water; will sink

1.198-1.202

Solubility · 3건

Slightly soluble (NTP, 1992)

Slightly soluble in water; Soluble in ether

Miscible at room temperature (in ethanol)

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

화학적 성질

Thiazole has a green, sweet, nutty, tomato note.

안전 및 규제

GHS 분류

GHS Classification · 4건

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 · 3건

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Commission Regulation (EC) No 1565/2000 (Repealed by Com.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

안전 및 보호

Fire FightingExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
First Aid · 1건

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.

Nonfire Spill ResponseExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
Isolation and EvacuationExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
Personal Protective Equipment (PPE) · 1건

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

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 · 2건

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

General Manufacturing InformationThiazole: ACTIVE
응용 분야 · 3건

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.

공급사50 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
爱斯特(成都)生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]

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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420건

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