4-메틸티아졸-5-카르복스알데히드

4-Methylthiazole-5-carboxaldehyde

HCID 581339CAS 82294-70-0

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Cc1ncsc1C=O
InChIKey: JJVIEMFQPALZOZ-UHFFFAOYSA-N
분자식: C5H5NOS
평균 분자량: 127.17 g/mol
단동위원소 질량: 127.00918478

이름 및 식별자

우선 이름: 4-Methylthiazole-5-carboxaldehyde
IUPAC: 4-methyl-1,3-thiazole-5-carbaldehyde
현지명: 4-메틸티아졸-5-카르복스알데히드
영어명: 4-Methylthiazole-5-carboxaldehyde
분자식: C5H5NOS
분자량: 127.16

이름 및 동의어

4-Methylthiazole-5-carboxaldehyde4-Methyl-5-thiazolecarboxaldehyde5-THIAZOLECARBOXALDEHYDE, 4-METHYL-RefChem:525725617-314-482294-70-04-Methylthiazole-5-carbaldehyde4-Methyl-1,3-thiazole-5-carbaldehyde5-Formyl-4-methylthiazole4-METHYL-5-THIAZOLECARBALDEHYDE4-Methylthiazole-5-aldehydeMFCD07368277

이름 더 보기

4-메틸티아졸-5-카르복스알데히드MFTAFMTF2124-0219IFLAB-BB F2124-02194-Methyl-5-thiazole aldehyde4-METHYL-5-THIAZOLYL ALDEHYDEMFTA 4-Methyl-5-formylthiazole

4-Methyl-5-formylthiazole4-methylthiazol-5-carboaldehyde4-Methyl-thiazole-5-carbaldehydeDTXSID50342386AKOS000265234CS-W011148AC-55844-Methyl-1,3-thiazole-5-carbaldehyde #

데이터베이스 식별자

CAS: 82294-70-0
PubChem CID: 581339
DTXSID: DTXSID50342386
EC Number: 617-314-4
Nikkaji: J817.484I

물성

구조 계산 물성

XLogP: 1.1
극성 표면적: 58.2 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 8
형식 전하: 0
복잡도: 96.4

물리화학적 성질

녹는점: 74 · 74-78 °C (lit.)
끓는 점: 118 °C/21mmHg · 118°C/21mmHg(lit.)
밀도: 1.27 · 1.270±0.06 g/cm3(Predicted)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
물리적 상태: powder to crystal
산도 계수 (pKa): 1.53 · 1.53±0.10(Predicted)
색상: White to Light yellow to Light orange
수용성: 물에 약간 용해됩니다.
InChI: InChI=1S/C5H5NOS/c1-4-5(2-7)8-3-6-4/h2-3H,1H3
InChIKey: JJVIEMFQPALZOZ-UHFFFAOYSA-N
SMILES: S1C(C=O)=C(C)N=C1
LogP: 0.32 · 0.320 (est)

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H318 (95.1%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P264+P265, P280, P305+P354+P338, and P317 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 3 notifications to the ECHA C&L Inventory.

유해성 정보

Regulatory InformationChemical: 5-Thiazolecarboxaldehyde, 4-methyl-

Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia

Hazard Classes and CategoriesEye Dam. 1 (95.1%)

안전 데이터

wgk: 3
HS 번호: 29341000
risk_code: 41-43
hazard_code: Xi
safety_code: 26-39
위험 등급: IRRITANT
Hazard Classifications: Eye Dam. 1
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도4-Methylthiazole-5-carboxaldehyde is used as pharmaceutical intermediate.

상·하류 제품 정보

상류 원료

하류 제품

나1207E

공급사50 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

浙江华方药业股份有限公司0576-84169890

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

INTATRADE GmbH+49 3493/605464 · [email protected]

韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]

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