4,6-Dichloro-2,5-dimethylpyrimidine

HCID 237013CAS 1780-33-2

기본 정보

표준 SMILES: Cc1nc(Cl)c(C)c(Cl)n1
InChIKey: BXVKGWQEEXPBAW-UHFFFAOYSA-N
분자식: C6H6Cl2N2
평균 분자량: 177.03 g/mol
단동위원소 질량: 175.99080355

이름 및 식별자

우선 이름: 4,6-Dichloro-2,5-dimethylpyrimidine
IUPAC: 4,6-dichloro-2,5-dimethylpyrimidine
영어명: 4,6-Dichloro-2,5-Dimethyl Pyrimidine
분자식: C6H6Cl2N2
분자량: 177.03

이름 및 동의어

4,6-Dichloro-2,5-dimethylpyrimidineDTXSID90285006RefChem:507958DTXCID70236157813-208-91780-33-2Pyrimidine, 4,6-dichloro-2,5-dimethyl-4,6-Dichloro-2,5-Dimethyl PyrimidineMFCD09991674NSC402124,6-dichloro-2,5-dimethyl-pyrimidine2,5-dimethyl-4,6-dichloro-pyrimidine

이름 더 보기

CPD1015-A24,6-Dichloro-2,5-dimethylpyrimidine 99%4,6-Dichloro-2,5-dimethyl Pyrimidine(Galapogos)4,6-Dichloro-2,5-Dimethyl Pyrimidine ISO 9001：2015 REACH

NCIMech_000181SCHEMBL275977CHEMBL1981461BXVKGWQEEXPBAW-UHFFFAOYSA-N46-Dichloro-25-dimethylpyrimidineCCG-35379EBC-47563NSC-40212

데이터베이스 식별자

CAS: 1780-33-2
PubChem CID: 237013
DTXSID: DTXSID90285006
ChEMBL: CHEMBL1981461
EC Number: 813-208-9

물성

구조 계산 물성

XLogP: 2.9
극성 표면적: 25.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 10
형식 전하: 0
복잡도: 108

물리화학적 성질

저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
물리적 상태: 결정질 고체
색상: 하얀색
InChI: InChI=1S/C6H6Cl2N2/c1-3-5(7)9-4(2)10-6(3)8/h1-2H3
InChIKey: BXVKGWQEEXPBAW-UHFFFAOYSA-N
SMILES: C1(C)=NC(Cl)=C(C)C(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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.