4,6-Dichloro-2-methylpyrimidin-5-amine

HCID 736674CAS 39906-04-2

기본 정보

표준 SMILES: Cc1nc(Cl)c(N)c(Cl)n1
InChIKey: FKRXXAMAHOGYNT-UHFFFAOYSA-N
분자식: C5H5Cl2N3
평균 분자량: 178.02 g/mol
단동위원소 질량: 176.98605252

이름 및 식별자

우선 이름: 4,6-Dichloro-2-methylpyrimidin-5-amine
IUPAC: 4,6-dichloro-2-methylpyrimidin-5-amine
영어명: 5-Amino-4,6-dichloro-2-methylpyrimidine
분자식: C5H5Cl2N3
분자량: 178.02

이름 및 동의어

4,6-dichloro-2-methylpyrimidin-5-amineFKRXXAMAHOGYNT-UHFFFAOYSA-RefChem:507990609-751-4InChI=1/C5H5Cl2N3/c1-2-9-4(6)3(8)5(7)10-2/h8H2,1H339906-04-25-Amino-4,6-dichloro-2-methylpyrimidine2-Methyl-4,6-dichloro-5-aminopyrimidine4,6-Dichloro-2-methyl-pyrimidin-5-ylamineMFCD00194053EN300-13082CS-W017349

이름 더 보기

TIMTEC-BB SBB0037642-Methyl-4,6-dichloro-5-aminopMethyl-4,6-dichloro-5-aminopyrimidine4,6-dichloro-2-methyl-5-pyrimidinamine5-Amino-4,6-Dichloro-2-Methylpytimidine4,6-dichloro-2-Methyl-5-aMino-pyriMidine

SY0174815-Pyrimidinamine, 4,6-dichloro-2-methyl-4,6-dichloro-2-methyl-pyrimidin-5-amine4,6-Dichloro-2-methylpyrimidin-5-ylamineAM20100054SCHEMBL112929DTXSID60353084BDBM626011

데이터베이스 식별자

CAS: 39906-04-2
PubChem CID: 736674
DTXSID: DTXSID60353084
EC Number: 419-110-9、609-751-4
Nikkaji: J2.258.623H

물성

구조 계산 물성

XLogP: 1.8
극성 표면적: 51.8 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 0
무거운 원자 수: 10
형식 전하: 0
복잡도: 109

물리화학적 성질

녹는점: 70 · 70-73 °C (lit.)
끓는 점: 257.7 · 257.7±35.0 °C(Predicted)
밀도: 1.504 · 1.504±0.06 g/cm3(Predicted)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: 메탄올에 용해됨
물리적 상태: powder to crystal
산도 계수 (pKa): -2.55 · -2.55±0.39(Predicted)
색상: White to Yellow to Green
InChI: InChI=1S/C5H5Cl2N3/c1-2-9-4(6)3(8)5(7)10-2/h8H2,1H3
InChIKey: FKRXXAMAHOGYNT-UHFFFAOYSA-N
SMILES: C1(C)=NC(Cl)=C(N)C(Cl)=N1

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 1.9% (1 of 54) of reports.

Warning

H315 (96.3%): 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 54 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationStatus: Cease Manufacture Update: 10-11-2008 https://echa.europa.eu/registration-dossier/-/registered-dossier/5016

Hazard Classes and CategoriesSkin Irrit. 2 (96.3%)

안전 데이터

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

화학 및 산업

응용 분야

용도5-Amino-4,6-dichloro-2-methylpyrimidine is a useful research chemical for organic synthesis and other chemical and pharmacological processes.

상·하류 제품 정보

상류 원료

공급사50 곳

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]

上海策嵘生物科技有限公司[email protected]

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

INTATRADE GmbH+49 3493/605464 · [email protected]

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