4,5-디메틸티아졸
4,5-Dimethylthiazole
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기본 정보
- CAS
3581-91-7- 표준 SMILES
Cc1ncsc1C- InChIKey
UWSONZCNXUSTKW-UHFFFAOYSA-N- 분자식
- C5H7NS
- 평균 분자량
- 113.18 g/mol
- 단동위원소 질량
- 113.02992022
개요
4,5-Dimethylthiazole is a member of thiazoles.
이름 및 식별자
- 우선 이름
- 4,5-Dimethylthiazole
- IUPAC
- 4,5-dimethyl-1,3-thiazole
- 현지명
- 4,5-디메틸티아졸
- 영어명
- 4,5-Dimethylthiazole
- 분자식
- C5H7NS
- 분자량
- 113.18
이름 및 동의어
4,5-DIMETHYLTHIAZOLE3581-91-74,5-Dimethyl-1,3-thiazoleThiazole, 4,5-dimethyl-4,5-dimethyl thiazoleFEMA No. 3274EINECS 222-703-3BRN 0105694U3RP5I088GDTXSID401893484-27-00-00986 (Beilstein Handbook Reference)4,5-DIMETHYL THIAZOLE [FHFI]
이름 더 보기
4,5-디메틸티아졸4,5-다이메틸싸이아졸FEMA 3274FEMA NUMBER 32744,5-dimethyl-thiazol4,5-Dimethylthiazole>4,5-Dimethylthiazole,98%4,5-Dimethylthiazole100g4,5-Dimethylthiazole ,99%
RefChem:507854DTXCID70111839222-703-34,5-dimethyl-thiazoleMFCD000053362,2-DimethylthiazoleSCHEMBL532644,5-Dimethylthiazole, 97%
데이터베이스 식별자
- CAS
3581-91-7- PubChem CID
- 62510
- DTXSID
DTXSID40189348- ChEBI
CHEBI:193947- UNII
- U3RP5I088G
- EC Number
- 222-703-3
- Nikkaji
- J45.577F
물성
구조 계산 물성보충 중
- XLogP
- 1.8
- 극성 표면적
- 41.1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 7
- 형식 전하
- 0
- 복잡도
- 65.1
실험 및 물리화학적 성질
SpringerMaterials PropertiesDiamagnetic susceptibility
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density1.067-1.072
Flavoring AgentsEU Flavoring substances
Solubility
Soluble in ether
Miscible at room temperature (in ethanol)
Boiling Point
157.00 to 159.00 °C. @ 760.00 mm Hg
158 °C (742 mm Hg)
Melting Point83 - 84 °C
Refractive Index1.516-1.524
Physical Description
Solid
Clear colourless liquid; roasted, nutty, meaty, boiled poultry-like odour
물리화학적 성질
- 녹는점
- 83 · 83-84 C
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (98.1%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1451 reports by companies from 14 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory Information
Chemical: Thiazole, 4,5-dimethyl-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Thiazole, 4,5-dimethyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 4 (98.1%)
안전 데이터
- wgk
- 3
- rtecs
- XJ4380000
- ridadr
- UN 1993 3/PG 3
- HS 번호
- 29349990
- risk_code
- 10-22-37/38-41-36/37/38
- hazard_code
- Xn,Xi,F
- safety_code
- 16-26-39-37/39-36/37/39
- 포장분류
- III
- 위험 등급
- 3
- Hazard Classifications
- Acute Tox. 4 OralEye Dam. 1Flam. Liq. 3Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 3 - Flammable liquids
화학 및 산업
약리 정보
Cellular LocationsCytoplasm
용도 및 제조
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
응용 분야
출처Reported found in peanuts, toasted oats, malt, peach, pork, coffee, krill, shrimp and scallops
용도4,5-Dimethylthiazole was used in the preparation of 4-(bromomethyl)-5-(dibromomethyl)thiazole.
일반 설명4,5-Dimethylthiazole is a thiazoles compounds that containing a thiazole ring substituted at positions 4 and 5 only. Radical bromination of 4,5-dimethylthiazole using N-bromosuccinimide in the presence of 2,2′-azobisisobutyronitrile yields mono-, tri- and tetrabromo compounds.
제조 방법
From methyl-α-bromoethyl ketone; by oxidation of 2-mercaptothiazoles with hydrogen peroxide in aqueous solution; from 2-mercapto-4,5-dimethylthiazole.
상·하류 제품 정보
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하류 제품
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