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HCID 238012Erstellt: 27. Oktober 2026

4-Amino-6-chloropyrimidine

6-Chloropyrimidin-4-amine · 6-CHLORO-PYRIMIDIN-4-YLAMINE · H50551 · NSC 42134 · 4-Amino-6-chL · 4-Amino-6-chloropyri · 6-Chloro-4-pyrimidinamine · 4-AMINO-6-CHLOROPYRIMIDINE

https://huagongshe.com/de/chemical/238012

Molekülstruktur von 4-Amino-6-chloropyrimidine

Identifikatoren & physikalische Daten

CAS No.	5305-59-9
Summenformel	C4H4ClN3
Durchschnittliche Molmasse	129,55 g/mol
Monoisotopische Masse	129,00937481 g/mol
SMILES	Nc1cc(Cl)ncn1
InChIKey	DUKKRSPKJMHASP-UHFFFAOYSA-N
PubChem CID	238012
EC No.	664-284-3
DTXSID	DTXSID90285521

Chemische & physikalische Eigenschaften

XLogP	0,8
Polarare Oberfläche (TPSA)	51,8
H-Brücken-Donoren	1
H-Brücken-Akzeptoren	3
Frei drehbare Bindungen	0
Schwere Atome	8
Formalladung	0
Komplexität	77,7
Schmelzpunkt	215-216°C
Siedepunkt	289.0±20.0 °C(Predicted)
Dichte	1.437±0.06 g/cm3(Predicted)
Lagerbedingungen	Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit	DMSO
Aggregatzustand	Solid
pKa (Säurekonstante)	2.16±0.10(Predicted)
Farbe	Pale Yellow
InChI	InChI=1S/C4H4ClN3/c5-3-1-4(6)8-2-7-3/h1-2H,(H2,6,7,8)
InChIKey	DUKKRSPKJMHASP-UHFFFAOYSA-N
SMILES	C1=NC(Cl)=CC(N)=N1
CAS Datenbank	5305-59-9(CAS DataBase Reference)

Sicherheit & Vorschriften

GHS-Einstufung	WarningH302 (86.7%): 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 45 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 (86.7%)
Wassergefährdungsklasse (WGK)	3
Zollcode	29335990
R-Sätze (R)	36/37/38-22
Gefahrensymbole	Xi,Xn
hazard_note	Harmful
Sicherheitshinweise (S)	26-36/37/39-36/37
Gefahrenklasse	IRRITANTAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
Lagerklasse	11 - Combustible Solids

CAS No.

5305-59-9

Summenformel

C4H4ClN3

Durchschnittliche Molmasse

129,55 g/mol

Monoisotopische Masse

129,00937481 g/mol

SMILES

Nc1cc(Cl)ncn1

InChIKey

DUKKRSPKJMHASP-UHFFFAOYSA-N

PubChem CID

238012

EC No.

664-284-3

DTXSID

DTXSID90285521

Chemische & physikalische Eigenschaften

XLogP

0,8

Polarare Oberfläche (TPSA)

51,8

H-Brücken-Donoren

H-Brücken-Akzeptoren

Frei drehbare Bindungen

Schwere Atome

Formalladung

Komplexität

77,7

Schmelzpunkt

215-216°C

Siedepunkt

289.0±20.0 °C(Predicted)

Dichte

1.437±0.06 g/cm3(Predicted)

Lagerbedingungen

Keep in dark place,Sealed in dry,Room Temperature

Löslichkeit

DMSO

Aggregatzustand

Solid

pKa (Säurekonstante)

2.16±0.10(Predicted)

Farbe

Pale Yellow

InChI

InChI=1S/C4H4ClN3/c5-3-1-4(6)8-2-7-3/h1-2H,(H2,6,7,8)

InChIKey

DUKKRSPKJMHASP-UHFFFAOYSA-N

SMILES

C1=NC(Cl)=CC(N)=N1

CAS Datenbank

5305-59-9(CAS DataBase Reference)

Sicherheit & Vorschriften

GHS-Einstufung

WarningH302 (86.7%): 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 45 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 (86.7%)

Wassergefährdungsklasse (WGK)

Zollcode

29335990

R-Sätze (R)

36/37/38-22

Gefahrensymbole

Xi,Xn

hazard_note

Harmful

Sicherheitshinweise (S)

26-36/37/39-36/37

Gefahrenklasse

IRRITANTAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3

Lagerklasse

11 - Combustible Solids