2-Chloro-4-methoxypyrimidine

HCID 588935CAS 22536-63-6

기본 정보

표준 SMILES: COc1ccnc(Cl)n1
InChIKey: BDXYNMVQMBCTDB-UHFFFAOYSA-N
분자식: C5H5ClN2O
평균 분자량: 144.56 g/mol
단동위원소 질량: 144.00904046

이름 및 식별자

우선 이름: 2-Chloro-4-methoxypyrimidine
IUPAC: 2-chloro-4-methoxypyrimidine
영어명: 2-Chloro-4-methoxypyrimidine
분자식: C5H5ClN2O
분자량: 144.56

이름 및 동의어

2-Chloro-4-methoxypyrimidine22536-63-6DTXSID40343307RefChem:86244DTXCID60294387628-512-5BDXYNMVQMBCTDB-UHFFFAOYSA-N2-Chloro-4-methoxy-pyrimidineMFCD00194055Pyrimidine, 2-chloro-4-methoxy-2-chloro4-methoxypyrimidineSCHEMBL61299

이름 더 보기

2-Chloro-4-methoxypyrimidine 98%2-chloro-4-methoxy pyrimdine2-Chloro-6-methoxypyrimidine2-Chloro-4-methoxy-1,2-diazinePyrimidine, 2-chloro-4-methoxy- (6CI,8CI,9CI)2-CHLORO-4-METHOXYPYRIMIDINE ISO 9001：2015 REACH

4-methoxy-2-chloropyrimidine2-chloro -4-methoxypyrimidineorb3030596SCHEMBL1526608SCHEMBL290020842-chloro-4-(methyloxy)pyrimidineFr13644STR07516

데이터베이스 식별자

CAS: 22536-63-6
PubChem CID: 588935
DTXSID: DTXSID40343307
EC Number: 628-512-5
Nikkaji: J240.166E

물성

구조 계산 물성

XLogP: 1.5
극성 표면적: 35 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 9
형식 전하: 0
복잡도: 91

물리화학적 성질

녹는점: 54 · 54-57 °C (lit.)
끓는 점: 96 · 96-97 °C(Press: 18 Torr)
밀도: 1.292 · 1.292±0.06 g/cm3(Predicted)
인화점: 230 °F · >230 °F
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
산도 계수 (pKa): 0.07 · 0.07±0.20(Predicted)
물리적 상태: 결정성 분말
색상: 흰색에서 노란색으로
InChI: 1S/C5H5ClN2O/c1-9-4-2-3-7-5(6)8-4/h2-3H,1H3
InChIKey: BDXYNMVQMBCTDB-UHFFFAOYSA-N
SMILES: COc1ccnc(Cl)n1

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 42 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 CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
HS 번호: 29335990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 1건

용도2-Chloro-4-methoxypyrimidine is a pharmaceutical intermediate compound used in the preparation of Rilpivirine, a non-nucleoside reverse transcriptase inhibitor (NNRTI) used in the treatment of Human Immunodeficiency Virus (HIV) infections, which prevents the replication of the virus.