CAS 205672-24-8 5-bromo-2-chloro-N-methylpyrimidin-4-amine (HCID 10727771)

기본 정보

CAS: 205672-24-8
표준 SMILES: CNc1nc(Cl)ncc1Br
InChIKey: CFBYDDCMISMIAQ-UHFFFAOYSA-N
분자식: C5H5BrClN3
평균 분자량: 222.47 g/mol
단동위원소 질량: 220.93554

이름 및 식별자

우선 이름: 5-bromo-2-chloro-N-methylpyrimidin-4-amine
IUPAC: 5-bromo-2-chloro-N-methylpyrimidin-4-amine
현지명: (5-브로모-2-클로로-피리미딘-4-일)-메틸아민
영어명: (5-BroMo-2-chloro-pyriMidin-4-yl)-Methyl-aMine
분자식: C5H5BrClN3
분자량: 222.47

이름 및 동의어

5-bromo-2-chloro-N-methylpyrimidin-4-amine205672-24-8DTXSID80444044RefChem:301618DTXCID50394865858-549-45-bromo-2-chloro-N-methyl-4-PyrimidinamineMFCD09863053(5-Bromo-2-chloro-pyrimidin-4-yl)-methyl-amineSCHEMBL3139282CFBYDDCMISMIAQ-UHFFFAOYSA-NFIA67224

이름 더 보기

(5-브로모-2-클로로-피리미딘-4-일)-메틸아민

AKOS017554053SB58652AS-82668DA-37844SY129948(5-bromo-2-chloro-pyrimidin-4-yl)-methylamine4-Pyrimidinamine, 5-bromo-2-chloro-N-methyl-EN300-134133

데이터베이스 식별자

CAS: 205672-24-8
PubChem CID: 10727771
DTXSID: DTXSID80444044
EC Number: 858-549-4

물성

구조 계산 물성

XLogP: 2.2
극성 표면적: 37.8 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 10
형식 전하: 0
복잡도: 113

물리화학적 성질

끓는 점: 366.2 · 366.2±27.0 °C(Predicted)
밀도: 1.801 · 1.801±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C, protect from light
산도 계수 (pKa): 1.33 · 1.33±0.10(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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.