2,6-디클로로-7-메틸퓨린

2,6-디클로로-7-메틸퓨린 · 2,6-DICHLORO-7-METHYL-7H-PURINE · 106282 · 2,6-DICHLORO-7-METHYLPURINE · 2,6-dichloro-7-methyl-purin · 7H-Purine, 2,6-dichloro-7-methyl- · 2,6-Dichloro-7-methyl-7h-purine ,98% · 2,6-DICHLORO-7-METHYLPURINE 97% (HPLC)

https://huagongshe.com/ko/chemical/75281

식별자 및 물리적 특성

CAS No.	2273-93-0
분자식	C6H4Cl2N4
평균 분자량	203.03 g/mol
단동위원소 질량	201.98130149 g/mol
SMILES	Cn1cnc2nc(Cl)nc(Cl)c21
InChIKey	HVMUWHZAZGTMJK-UHFFFAOYSA-N
PubChem CID	75281
ChEMBL	CHEMBL1707176
EC No.	869-281-2
DTXSID	DTXSID40177265
현지명	2,6-디클로로-7-메틸퓨린

화학 및 물리적 성질

XLogP	2
극성 표면적	43.6
수소 결합 공여자 수	0
수소 결합 수용자 수	3
회전 가능 결합 수	0
무거운 원자 수	12
형식 전하	0
복잡도	179
녹는점	195.5-196 °C
끓는 점	307.2±52.0 °C(Predicted)
밀도	1.76±0.1 g/cm3(Predicted)
저장 조건	under inert gas (nitrogen or Argon) at 2-8°C
pKa(산도 계수)	-2.04±0.30(Predicted)

안전 및 규제

GHS 분류	WarningH302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]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)Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and Categories	Acute Tox. 4 (66.7%)
위험 문구(R)	22
위험 표시	Xi,Xn
위험 등급	IRRITANT

용도

2,6-DICHLORO-7-METHYLPURINE is used in the preparation and discover of novel mTOR INHIBITORS.