2-(Chloromethyl)-4,6-dimethoxypyrimidine

HCID 10965279

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 114108-86-0
표준 SMILES: COc1cc(OC)nc(CCl)n1
InChIKey: BWCCPOQIMGGGQX-UHFFFAOYSA-N
분자식: C7H9ClN2O2
평균 분자량: 188.61 g/mol
단동위원소 질량: 188.0352552

이름 및 식별자

우선 이름: 2-(Chloromethyl)-4,6-dimethoxypyrimidine
IUPAC: 2-(chloromethyl)-4,6-dimethoxypyrimidine
영어명: 2-Chloromethyl-4,6-dimethoxypyrimidine
분자식: C7H9ClN2O2
분자량: 188.61

이름 및 동의어

2-(chloromethyl)-4,6-dimethoxypyrimidineRefChem:460197114108-86-02-Chloromethyl-4,6-dimethoxypyrimidineMFCD002745392-(Chloromethyl)-4,6-dimethoxyPyrimidine, 2-(chloromethyl)-4,6-dimethoxy-2-Chloromethyl-4,6-dimethoxy-pyrimidineSCHEMBL379405DTXSID10450037SBB070752AKOS006229045

이름 더 보기

2-chloroMethyl-4,6-diMethoxylpyMidine2-(chloromethy)-4,6-dimethoxypyrimidine2-(Chloromethyl)-4,6-dimethoxy-1,3-diazinePYRIMIDINE, 2-(CHLOROMETHYL)-4,6-DIMETHOXY(4,6-DIMETHOXYPYRIMIDIN-2-YL)METHYL CHLORIDE2-Chloromethyl-4,6-dimethoxypyrimidine ISO 9001：2015 REACH

AB05878AC-26651PS-11631DB-019496AP-836/41220353F092345

데이터베이스 식별자

CAS: 114108-86-0
PubChem CID: 10965279
DTXSID: DTXSID10450037
EC Number: 801-585-2
Nikkaji: J1.038.976C

물성

구조 계산 물성

XLogP: 1.2
극성 표면적: 44.2 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 3
무거운 원자 수: 12
형식 전하: 0
복잡도: 125

물리화학적 성질

녹는점: 39 · 39-42
끓는 점: 271 · 271.0±30.0 °C(Predicted)
밀도: 1.244 · 1.244±0.06 g/cm3(Predicted)
산도 계수 (pKa): 0.43 · 0.43±0.30(Predicted)
물리적 상태: 크리스탈
색상: Pale amber/lemon

화학적 성질

white powder

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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)

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