1,3-Thiazole-5-carbaldehyde

HCID 2773577CAS 1003-32-3

기본 정보

표준 SMILES: O=Cc1cncs1
InChIKey: ZXRLWHGLEJGMNO-UHFFFAOYSA-N
분자식: C4H3NOS
평균 분자량: 113.14 g/mol
단동위원소 질량: 112.99353472

이름 및 식별자

우선 이름: 1,3-Thiazole-5-carbaldehyde
IUPAC: 1,3-thiazole-5-carbaldehyde
영어명: Thiazole-5-carboxaldehyde
분자식: C4H3NOS
분자량: 113.14

이름 및 동의어

5-Thiazolecarboxaldehyde1,3-thiazole-5-carbaldehydeRefChem:415734627-142-11003-32-3Thiazole-5-carboxaldehydeThiazole-5-carbaldehydethiazole-5-carboxyaldehydeMFCD021795165-FORMYLTHIAZOLE1,3-Thiazole-5-carboxaldehyde5-Thiazolecarboxaldehyde, 95%

이름 더 보기

5-Thiazolaldehyde5-Formylthiazole>5-Formyl-1,3-thiazolethiazol-5-carbaldehyde5-THIAOLECARBOXALDEHYDE5-thiazole formaldehyde

CS-D0828BDBM50486224AC-7648PS-3351HY-69015SY005766F0908EN300-65149

데이터베이스 식별자

CAS: 1003-32-3
PubChem CID: 2773577
DTXSID: DTXSID30378567
ChEMBL: CHEMBL2228158
EC Number: 627-142-1
Nikkaji: J697.227F

물성

구조 계산 물성

XLogP: 0.7
극성 표면적: 58.2 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 7
형식 전하: 0
복잡도: 76.1

물리화학적 성질

녹는점: 229 °C · 229 °C (decomp)
끓는 점: 92 · 92-94 °C/16 mmHg
밀도: 1.304 g/mL · 1.304 g/mL at 25 °C
굴절률: 1.5874 · 1.5874
인화점: 98 °C · 98 °C
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
물리적 상태: powder to lump to clear liquid
산도 계수 (pKa): 0.94 · 0.94±0.10(Predicted)
색상: White or Colorless to Yellow
InChI: InChI=1S/C4H3NOS/c6-2-4-1-5-3-7-4/h1-3H
InChIKey: ZXRLWHGLEJGMNO-UHFFFAOYSA-N
SMILES: S1C(C=O)=CN=C1

화학적 성질

White to brown liquid or solid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (97.7%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P272, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 43 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (97.7%)

안전 데이터

wgk: 3
HS 번호: 29341000
risk_code: 36/37/38-43-36-22
hazard_code: Xi,Xn
safety_code: 26-36/37/39-36/37
위험 등급: IRRITANT
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Skin Sens. 1
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도Thiazole-5-carboxaldehyde is used in the synthesis of imidazoles with cardiomyocyte proliferation activity for heart disease treatments.

상·하류 제품 정보

상류 원료

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]

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]

合肥翰刚医药科技有限公司+8618062405514 · [email protected]

温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]

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