4-Chloro-6-methyl-2-(propan-2-yl)pyrimidine

HCID 3306907CAS 4595-69-1

기본 정보

표준 SMILES: Cc1cc(Cl)nc(C(C)C)n1
InChIKey: PJCDNTVCCXJUAC-UHFFFAOYSA-N
분자식: C8H11ClN2
평균 분자량: 170.64 g/mol
단동위원소 질량: 170.06107603

이름 및 식별자

우선 이름: 4-Chloro-6-methyl-2-(propan-2-yl)pyrimidine
IUPAC: 4-chloro-6-methyl-2-propan-2-ylpyrimidine
영어명: 4-Chloro-2-isopropyl-6-methylpyrimidine
분자식: C8H11ClN2
분자량: 170.64

이름 및 동의어

4-chloro-6-methyl-2-(propan-2-yl)pyrimidineRefChem:521635821-707-84-chloro-2-isopropyl-6-methylpyrimidine4595-69-14-chloro-6-methyl-2-propan-2-ylpyrimidineMFCD02685656Pyrimidine, 4-chloro-6-methyl-2-(1-methylethyl)-4-Chloro-2-isopropyl-6-methyl-pyrimidine4-Chloro-6-methyl-2-isopropylpyrimidine4-Chloro-6-methyl-2-(1-methylethyl)pyrimidine;HMS1744D12

이름 더 보기

4-Chloro-6-methyl-2-(1-methylethyl)pyrimidine4-chloro-2-isopropyl-6-methylpyrimidine(SALTDATA: FREE)

Pyrimidine,4-chloro-6-methyl-2-(1-methylethyl)-SCHEMBL1586144DTXSID20391285PJCDNTVCCXJUAC-UHFFFAOYSA-NEAA59569AKOS000122974SB55864SY147825

데이터베이스 식별자

CAS: 4595-69-1
PubChem CID: 3306907
DTXSID: DTXSID20391285
EC Number: 821-707-8

물성

구조 계산 물성

XLogP: 2.7
극성 표면적: 25.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 11
형식 전하: 0
복잡도: 127

물리화학적 성질

끓는 점: 84 · 84-85 °C(Press: 12 Torr)
밀도: 1.106 · 1.106±0.06 g/cm3(Predicted)
용해도: 아세토니트릴(매우 약간), DMSO(약간)에 용해됨
물리적 상태: 기름
산도 계수 (pKa): 1.14 · 1.14±0.30(Predicted)
색상: 투명 무색~연황색

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

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

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)

안전 데이터

HS 번호: 2933599590

화학 및 산업

응용 분야

용도4-Chloro-2-isopropyl-6-methylpyrimidine, is an intermediate used for the synthesis of some novel pyrimidine derivatives, having antifungal activities.