4-Chloro-2-methylpyrimidine

CHEMBRDG-BB 4015462 · Dasatinib Impurity R · 4-Chloro-2-methylpyrimidine · 2-Methyl-4-chloropyriMidine · 4-Chloro-2-methylpyrimidine95% · Pyrimidine, 4-chloro-2-methyl- · 4-Chloro-2-methylpyrimidine >2-methyl-4-chloro-[3,4-d]-pyrimidine · 4-chloro-2-methylpyrimidine(SALTDATA: FREE)

https://huagongshe.com/ko/chemical/424447

식별자 및 물리적 특성

CAS No.	4994-86-9
분자식	C5H5ClN2
평균 분자량	128.56 g/mol
단동위원소 질량	128.0141259 g/mol
SMILES	Cc1nccc(Cl)n1
InChIKey	WDTVJRYCMIZPMX-UHFFFAOYSA-N
PubChem CID	424447
EC No.	800-409-1
DTXSID	DTXSID40329848

화학 및 물리적 성질

XLogP	1.6
극성 표면적	25.8
수소 결합 공여자 수	0
수소 결합 수용자 수	2
회전 가능 결합 수	0
무거운 원자 수	8
형식 전하	0
복잡도	76
녹는점	55.0 to 59.0 °C
끓는 점	168°C(lit.)
밀도	1.234±0.06 g/cm3(Predicted)
저장 조건	Inert atmosphere,Store in freezer, under -20°C
물리적 상태	powder to crystal
pKa(산도 계수)	0.47±0.20(Predicted)
색상	흰색에서 갈색으로
InChI	InChI=1S/C5H5ClN2/c1-4-7-3-2-5(6)8-4/h2-3H,1H3
InChIKey	WDTVJRYCMIZPMX-UHFFFAOYSA-N
SMILES	C1(C)=NC=CC(Cl)=N1

안전 및 규제

GHS 분류	DangerH302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]H315 (83.3%): Causes skin irritation [Warning Skin corrosion/irritation]H318 (50%): Causes serious eye damage [Danger Serious eye damage/eye irritation]H319 (33.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, 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 6 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard Classes and Categories	Acute Tox. 4 (66.7%)Skin Irrit. 2 (83.3%)Eye Dam. 1 (50%)Eye Irrit. 2 (33.3%)STOT SE 3 (50%)
관세 코드	2933599590
위험 등급	Acute Tox. 4 Oral
저장 분류	11 - Combustible Solids

용도

4-Chloro-2-methylpyrimidine is a reagent in the preparation of (pyridylmethyl)-/(pyrimidin-4-ylmethyl)-dihydroquinolines as antagonists against CXCR4.