2,4,6-Tribromopyrimidine

100314 · 6-tribroMopyriMidine · 2,4,6-Tribromopyrimidine · Pyrimidine, 2,4,6-tribromo- · 2,4,6-Tribromopyrimidine 95% · 2,4,6-Tribromopyrimidine ,97% · 2,4,6-TRIBROMOPYRIMIDINE ISO 9001：2015 REACH

https://huagongshe.com/de/chemical/258580

Molekülstruktur von 2,4,6-Tribromopyrimidine

Identifikatoren & physikalische Daten

CAS No.	36847-11-7
Summenformel	C4HBr3N2
Durchschnittliche Molmasse	316,78 g/mol
Monoisotopische Masse	313,76898433 g/mol
SMILES	Brc1cc(Br)nc(Br)n1
InChIKey	AHEYFWKLKMOHCI-UHFFFAOYSA-N
PubChem CID	258580
EC No.	670-509-6
DTXSID	DTXSID90293181

Chemische & physikalische Eigenschaften

XLogP	3,3
Polarare Oberfläche (TPSA)	25,8
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	2
Frei drehbare Bindungen	0
Schwere Atome	9
Formalladung	0
Komplexität	89,8
Schmelzpunkt	108-113°C
Siedepunkt	124 °C(Press: 5 Torr)
Dichte	2.545±0.06 g/cm3(Predicted)
Lagerbedingungen	Sealed in dry,Store in freezer, under -20°C
Aggregatzustand	solid
pKa (Säurekonstante)	-7.31±0.30(Predicted)
InChI	InChI=1S/C4HBr3N2/c5-2-1-3(6)9-4(7)8-2/h1H
InChIKey	AHEYFWKLKMOHCI-UHFFFAOYSA-N
SMILES	C1(Br)=NC(Br)=CC(Br)=N1

Sicherheit & Vorschriften

GHS-Einstufung	DangerH302 (90.9%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and Categories	Acute Tox. 4 (90.9%)
Wassergefährdungsklasse (WGK)	3
Zollcode	29335990
R-Sätze (R)	22-37/38-41-36/37/38
Gefahrensymbole	Xn
Sicherheitshinweise (S)	26-39-36/37/39-22
Lagerklasse	11 - Combustible Solids
Gefahrenklasse	Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3

HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke

HCID 258580Erstellt: 27. Oktober 2026

2,4,6-Tribromopyrimidine

https://huagongshe.com/de/chemical/258580

Identifikatoren & physikalische Daten

CAS No.	36847-11-7
Summenformel	C4HBr3N2
Durchschnittliche Molmasse	316,78 g/mol
Monoisotopische Masse	313,76898433 g/mol
SMILES	Brc1cc(Br)nc(Br)n1
InChIKey	AHEYFWKLKMOHCI-UHFFFAOYSA-N
PubChem CID	258580
EC No.	670-509-6
DTXSID	DTXSID90293181

Chemische & physikalische Eigenschaften

XLogP	3,3
Polarare Oberfläche (TPSA)	25,8
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	2
Frei drehbare Bindungen	0
Schwere Atome	9
Formalladung	0
Komplexität	89,8
Schmelzpunkt	108-113°C
Siedepunkt	124 °C(Press: 5 Torr)
Dichte	2.545±0.06 g/cm3(Predicted)
Lagerbedingungen	Sealed in dry,Store in freezer, under -20°C
Aggregatzustand	solid
pKa (Säurekonstante)	-7.31±0.30(Predicted)
InChI	InChI=1S/C4HBr3N2/c5-2-1-3(6)9-4(7)8-2/h1H
InChIKey	AHEYFWKLKMOHCI-UHFFFAOYSA-N
SMILES	C1(Br)=NC(Br)=CC(Br)=N1

Sicherheit & Vorschriften

GHS-Einstufung	DangerH302 (90.9%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and Categories	Acute Tox. 4 (90.9%)
Wassergefährdungsklasse (WGK)	3
Zollcode	29335990
R-Sätze (R)	22-37/38-41-36/37/38
Gefahrensymbole	Xn
Sicherheitshinweise (S)	26-39-36/37/39-22
Lagerklasse	11 - Combustible Solids
Gefahrenklasse	Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3