CAS 6320-15-6 4-Chloro-2,6-dimethoxypyrimidine (HCID 80600)

기본 정보

CAS: 6320-15-6
표준 SMILES: COc1cc(Cl)nc(OC)n1
InChIKey: JHNRTJRDRWKAIW-UHFFFAOYSA-N
분자식: C6H7ClN2O2
평균 분자량: 174.58 g/mol
단동위원소 질량: 174.01960514

이름 및 식별자

우선 이름: 4-Chloro-2,6-dimethoxypyrimidine
IUPAC: 4-chloro-2,6-dimethoxypyrimidine
영어명: 6-CHLORO-2,4-DIMETHOXYPYRIMIDINE
분자식: C6H7ClN2O2
분자량: 174.59

이름 및 동의어

4-Chloro-2,6-dimethoxypyrimidine6320-15-66-Chloro-2,4-dimethoxypyrimidinePyrimidine, 4-chloro-2,6-dimethoxy-EINECS 228-669-6NSC 317964-Chlor-2,6-dimethoxypyrimidinDTXSID60212561RefChem:98323DTXCID90135052228-669-6JHNRTJRDRWKAIW-UHFFFAOYSA-N

이름 더 보기

AURORA KA-49164-diMethoxy pyriMidine6-chloro-2, 4-methoxypyrimidine6-chloro-2,4-dimethixypyrimidine

2,4-Dimethoxy-6-chloropyrimidineMFCD000060684-chloro-2,6-dimethoxy-pyrimidine2,6-dimethoxy-4-chloropyrimidine2,4-Dimethoxy-6-chloropyrimidine; 2,6-Dimethoxypyrimidin-4-yl chloride; 6-Chloro-2,4-dimethoxypyrimidine; NSC 31796NSC31796SCHEMBL105629SCHEMBL7688147

데이터베이스 식별자

CAS: 6320-15-6
PubChem CID: 80600
DTXSID: DTXSID60212561
EC Number: 228-669-6
Nikkaji: J149.396E

물성

구조 계산 물성

XLogP: 1.8
극성 표면적: 44.2 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 2
무거운 원자 수: 11
형식 전하: 0
복잡도: 125

실험 및 물리화학적 성질

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy

물리화학적 성질

녹는점: 74 · 74-76 °C(lit.)
끓는 점: 280.6 · 280.6±43.0 °C(Predicted)
밀도: 1.285 · 1.285±0.06 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
용해도: 클로로포름, 에틸 아세테이트 및 메탄올에 용해됩니다.
물리적 상태: 고체
산도 계수 (pKa): -1.92 · -1.92±0.30(Predicted)
색상: 하얀색
BRN: 137581 · 137581
InChI: InChI=1S/C6H7ClN2O2/c1-10-5-3-4(7)8-6(9-5)11-2/h3H,1-2H3
InChIKey: JHNRTJRDRWKAIW-UHFFFAOYSA-N
SMILES: C1(OC)=NC(OC)=CC(Cl)=N1

화학적 성질

White powder or flakes

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

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

Aggregated GHS information provided per 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
HS 번호: 29335995
safety_code: 24/25
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 2건

개요6-Chloro-2,4-dimethoxypyrimidine serves as a key intermediate in pharmaceuticals, pesticides and fine chemical engineering. It is commonly used in the synthesis of sulfonylurea herbicides , and also applied to the preparation of pyrimidine ring-containing pharmaceutically active molecules. In addition, it acts as a heterocyclic building block to participate in the construction of pyrimidine derivatives, which is suitable for the research, development and production of functional molecules in organic synthesis and materials chemistry.

용도It is used in the synthesis of silyl and stannyl pyrimidines.