2-Chloro-4-aminopyrimidine

2-CHLOROPYRIMIDIN-4-AMINE · 2-CHLORO-4-PYRIMIDINAMINE · 2-CHLORO-4-AMINOPYRIMIDINE · 4-AMINO-2-CHLOROPYRIMIDINE · 2-CHLOROPYRIMIDIN-4-YLAMINE · 4-Pyrimidinamine, 2-chloro- · 4-Amino-2-chloropyrimidin... · 4-Amino-2-chloropyrimidine >4-Amino-2-chloropyrimidine ,97%

https://huagongshe.com/ko/chemical/345752

식별자 및 물리적 특성

CAS No.	7461-50-9
분자식	C4H4ClN3
평균 분자량	129.55 g/mol
단동위원소 질량	129.00937481 g/mol
SMILES	Nc1ccnc(Cl)n1
InChIKey	LPBDZVNGCNTELM-UHFFFAOYSA-N
PubChem CID	345752
EC No.	627-766-4
DTXSID	DTXSID80323289

화학 및 물리적 성질

XLogP	0.8
극성 표면적	51.8
수소 결합 공여자 수	1
수소 결합 수용자 수	3
회전 가능 결합 수	0
무거운 원자 수	8
형식 전하	0
복잡도	77.7
녹는점	197-205 °C
끓는 점	338.8±15.0 °C(Predicted)
밀도	1.437±0.06 g/cm3(Predicted)
저장 조건	Keep in dark place,Sealed in dry,Room Temperature
물리적 상태	powder to crystal
pKa(산도 계수)	2.30±0.10(Predicted)
색상	흰색에서 밝은 노란색
InChI	InChI=1S/C4H4ClN3/c5-4-7-2-1-3(6)8-4/h1-2H,(H2,6,7,8)
InChIKey	LPBDZVNGCNTELM-UHFFFAOYSA-N
SMILES	C1(Cl)=NC=CC(N)=N1

화학적 성질

White to light brown solid

안전 및 규제

GHS 분류	WarningH302 (97.7%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 43 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and Categories	Acute Tox. 4 (97.7%)
수질 위해 등급(WGK)	3
관세 코드	29335990
위험 문구(R)	36/37/38-36-22
위험 표시	Xn
안전 문구(S)	26-36/37/39
위험 등급	IRRITANT-HARMFULAcute Tox. 4 OralEye Irrit. 2
저장 분류	11 - Combustible Solids

용도

4-Amino-2-chloropyrimidine is a chloropyrimidine compound, which is widely used in the synthesis of various medicines and pesticides. It can be used to transform functional groups, such as amino groups, or to remove chlorine by hydrogenolysis; chlorine can also be used to couple various carbon-carbon bonds.