1,3-Thiazole-2-carbaldehyde

HCID 2734903

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 10200-59-6
표준 SMILES: O=Cc1nccs1
InChIKey: ZGTFNNUASMWGTM-UHFFFAOYSA-N
분자식: C4H3NOS
평균 분자량: 113.14 g/mol
단동위원소 질량: 112.99353472

이름 및 식별자

우선 이름: 1,3-Thiazole-2-carbaldehyde
IUPAC: 1,3-thiazole-2-carbaldehyde
영어명: 1,3-Thiazole-2-carbaldehyde
분자식: C4H3NOS
분자량: 113.14

이름 및 동의어

1,3-thiazole-2-carbaldehydeRefChem:415729688-154-02-Thiazolecarboxaldehyde10200-59-6thiazole-2-carbaldehyde2-FormylthiazoleThiazole-2-carboxaldehydeMFCD001429241,3-THIAZOLE-2-CARBOXALDEHYDE2-THIAZOLE CARBOXALDEHYDEThiazolecarboxaldehyde

이름 더 보기

20:5n3)EOS-619592-Formylthiazole>2-Formyl-1,3-thiazoleeicosapentaenoate (EPA

2-KETOTHIAZOLE2-formyl thiazole2-thiazolecarbaldehydeThiazolecarboxaldehyd2-thiazolecaboxaldehydethiazol-2-carbaldehydethiazol-2-carboxaldehyde2-thiazole-carboxaldehyde

데이터베이스 식별자

CAS: 10200-59-6
PubChem CID: 2734903
DTXSID: DTXSID70370565
EC Number: 688-154-0
Nikkaji: J256.554D

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

끓는 점: 61 · 61-63 °C/15 mmHg (lit.)
밀도: 1.288 g/mL · 1.288 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.574(lit.)
인화점: 154 °F · 154 °F
저장 조건: 2 · 2-8°C
물리적 상태: 액체
산도 계수 (pKa): 0.44 · 0.44±0.10(Predicted)
색상: 무색~담황색
수용성: 녹는
InChI: InChI=1S/C4H3NOS/c6-3-4-5-1-2-7-4/h1-3H
InChIKey: ZGTFNNUASMWGTM-UHFFFAOYSA-N
SMILES: S1C=CN=C1C=O
LogP: 0.602 · 0.602 (est)

화학적 성질

Colorless to light yellow liqui

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H227 (40%): Combustible liquid [Warning Flammable liquids]

P210, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 5 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesFlam. Liq. 4 (40%)

안전 데이터

wgk: 3
HS 번호: 29349990
risk_code: 36/37/38-22
hazard_code: Xn,Xi
safety_code: 36/37/39-26-23-36
위험 참고 사항: Harmful
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야 · 2건

용도2-Thiazolecarboxaldehyde is a useful building block for taxane analogs.

일반 설명2-Thiazolecarboxaldehyde is a thiazole aldehyde derivative. It undergoes Baylis–Hillman reaction with methyl acrylate catalyzed by DABCO (1,4-diazabicyclo[2.2.2]octane). The reaction mechanism has been studied by electrospray ionization mass spectrometry (ESI-MS).