4,6-Dichloro-2-(methylsulfanyl)pyrimidine-5-carbaldehyde

HCID 4614004CAS 33097-11-9

기본 정보

표준 SMILES: CSc1nc(Cl)c(C=O)c(Cl)n1
InChIKey: MRHGOAKYYORQGQ-UHFFFAOYSA-N
분자식: C6H4Cl2N2OS
평균 분자량: 223.08 g/mol
단동위원소 질량: 221.94213911

이름 및 식별자

우선 이름: 4,6-Dichloro-2-(methylsulfanyl)pyrimidine-5-carbaldehyde
IUPAC: 4,6-dichloro-2-methylsulfanylpyrimidine-5-carbaldehyde
영어명: 4,6-Dichloro-2-methylsulfanyl-pyrimidine-5-carbaldehyde
분자식: C6H4Cl2N2OS
분자량: 223.08

이름 및 동의어

33097-11-94,6-dichloro-2-(methylsulfanyl)pyrimidine-5-carbaldehydeDTXSID10404898RefChem:285775DTXCID303557524,6-Dichloro-2-(methylthio)pyrimidine-5-carbaldehyde4,6-dichloro-2-methylsulfanyl-pyrimidine-5-carbaldehyde4,6-Dichloro-2-(methylthio)-5-pyrimidinecarbaldehyde4,6-dichloro-2-methylsulfanylpyrimidine-5-carbaldehyde4,6-DICHLORO-2-(METHYLTHIO)-5-FORMYLPYRIMIDINEMFCD00194954C6H4Cl2N2OS

이름 더 보기

ASISCHEM C519862-Aminomethylimidazoledihydrochloride2,4-Dichloro-5-formyl-2-(methylthio)pyrimidine4,6-Dichloro-5-formyl-2-(methylthio)pyrimidine4,6-DICHLORO-2-METHYLSULFANYL-PYRIMIDINE-5-CARB4,6-Dichloro-2-(methylthio)-5-pyrimidinecarboxaldehyde

SCHEMBL1646314,6-DICHLORO-2-(METHYLTHIO)PYRIMIDINE-5-CARBOXALDEHYDEEN300-1561474,6-Dichloro-2-(methylthio)-pyrimidine-5-carbaldehyde2-(Methylthio)-4,6-dichloropyrimidine-5-carboxaldehyde4,6-Dichloro-2-methylsulfanylpyrimidine-5-carboxaldehyde5-Pyrimidinecarboxaldehyde, 4,6-dichloro-2-(methylthio)-4,6-dichloro-2-methylsulfanyl-pyrimidine-5-carbaldenyde

데이터베이스 식별자

CAS: 33097-11-9
PubChem CID: 4614004
DTXSID: DTXSID10404898
EC Number: 803-643-2
Nikkaji: J1.378.959B

물성

구조 계산 물성

XLogP: 2.4
극성 표면적: 68.2 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 2
무거운 원자 수: 12
형식 전하: 0
복잡도: 160

물리화학적 성질

녹는점: 82 · 82-84°C
끓는 점: 327.7 · 327.7±37.0 °C(Predicted)
밀도: 1.57 · 1.57±0.1 g/cm3(Predicted)
저장 조건: 2 · Inert atmosphere,2-8°C
용해도: 에 용해됨클로로포름, 에테르, 에틸아세테이트
물리적 상태: 고체
산도 계수 (pKa): -6.47 · -6.47±0.39(Predicted)
색상: 옅은 노랑
InChI: InChI=1S/C6H4Cl2N2OS/c1-12-6-9-4(7)3(2-11)5(8)10-6/h2H,1H3
InChIKey: MRHGOAKYYORQGQ-UHFFFAOYSA-N
SMILES: C1(SC)=NC(Cl)=C(C=O)C(Cl)=N1

화학적 성질

Pale Yellow Solid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

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

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)

안전 데이터

wgk: 3
HS 번호: 2933599590
risk_code: 22-43
hazard_code: Xn
safety_code: 36/37
Hazard Classifications: Acute Tox. 4 OralSkin Sens. 1
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도4,6-Dichloro-2-(methylthio)-5-formylpyrimidine (cas# 33097-11-9) is a compound useful in organic synthesis.

상·하류 제품 정보

상류 원료

하류 제품

4,6-Dichloro-2-(methylthio)pyrimidine-5-carbonitrile 4,6-Dichloro-2-(methylthio)pyrimidine-5-carbaldehyde oxime 4-chloro-1-ethyl-6-(Methylthio)-1H-pyrazolo[3,4-d]pyriMidine

공급사50 곳

奥思恩（北京）科技有限公司18201687790 18201687790 · [email protected]

上海凛南医药科技有限公司15900633975;13262632028

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

陕西缔都新材料有限公司81124267 17392282731 · [email protected]

Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]

연결된 노트

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