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HCID 2734413Erstellt: 3. November 2026

3-Bromopyridine-2,5-diamine

3-BROMO-2,5-DIAMINOPYRIDINE · 2,5-Pyridinediamine, 3-bromo- · 3-?BROMO- 2,?5-?PYRIDINEDIAMINE · 3-Bromo-2,5-diaminopyridine 97% · 3-Bromo-2,5-diaminopyridine,99% · 3-BROMO-2,5-DIAMINOPYRIDINE, 99% ISO 9001：2015 REACH

https://huagongshe.com/de/chemical/2734413

Molekülstruktur von 3-Bromopyridine-2,5-diamine

Identifikatoren & physikalische Daten

CAS No.	896160-69-3
Summenformel	C5H6BrN3
Durchschnittliche Molmasse	188,03 g/mol
Monoisotopische Masse	186,97451 g/mol
SMILES	Nc1cnc(N)c(Br)c1
InChIKey	YJENCMIONVUOCW-UHFFFAOYSA-N
PubChem CID	2734413
EC No.	687-507-6

Chemische & physikalische Eigenschaften

XLogP	0,5
Polarare Oberfläche (TPSA)	64,9
H-Brücken-Donoren	2
H-Brücken-Akzeptoren	3
Frei drehbare Bindungen	0
Schwere Atome	9
Formalladung	0
Komplexität	98,2
Schmelzpunkt	122-127 °C
Siedepunkt	337.0±37.0 °C(Predicted)
Dichte	1.6770 (rough estimate)
Brechungsindex	1.6400 (estimate)
Lagerbedingungen	under inert gas (nitrogen or Argon) at 2–8 °C
pKa (Säurekonstante)	3.82±0.49(Predicted)
Aggregatzustand	solid
InChI	1S/C5H6BrN3/c6-4-1-3(7)2-9-5(4)8/h1-2H,7H2,(H2,8,9)
InChIKey	YJENCMIONVUOCW-UHFFFAOYSA-N
SMILES	Nc1cnc(N)c(Br)c1

Sicherheit & Vorschriften

GHS-Einstufung	DangerH301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]P261, P264, P264+P265, P270, P272, P280, P301+P316, P302+P352, P305+P351+P338, P321, P330, P333+P317, P337+P317, P362+P364, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and Categories	Acute Tox. 3 (100%)
Wassergefährdungsklasse (WGK)	3
UN-Transportnummer	UN 2811 6.1 / PGIII
Zollcode	29333999
R-Sätze (R)	22-36-43
Gefahrensymbole	Xn
Sicherheitshinweise (S)	26-36/37
Lagerklasse	6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Gefahrenklasse	Acute Tox. 3 OralEye Irrit. 2Skin Sens. 1

CAS No.

896160-69-3

Summenformel

C5H6BrN3

Durchschnittliche Molmasse

188,03 g/mol

Monoisotopische Masse

186,97451 g/mol

SMILES

Nc1cnc(N)c(Br)c1

InChIKey

YJENCMIONVUOCW-UHFFFAOYSA-N

PubChem CID

2734413

EC No.

687-507-6

Chemische & physikalische Eigenschaften

XLogP

0,5

Polarare Oberfläche (TPSA)

64,9

H-Brücken-Donoren

H-Brücken-Akzeptoren

Frei drehbare Bindungen

Schwere Atome

Formalladung

Komplexität

98,2

Schmelzpunkt

122-127 °C

Siedepunkt

337.0±37.0 °C(Predicted)

Dichte

1.6770 (rough estimate)

Brechungsindex

1.6400 (estimate)

Lagerbedingungen

under inert gas (nitrogen or Argon) at 2–8 °C

pKa (Säurekonstante)

3.82±0.49(Predicted)

Aggregatzustand

solid

InChI

1S/C5H6BrN3/c6-4-1-3(7)2-9-5(4)8/h1-2H,7H2,(H2,8,9)

InChIKey

YJENCMIONVUOCW-UHFFFAOYSA-N

SMILES

Nc1cnc(N)c(Br)c1

Sicherheit & Vorschriften

GHS-Einstufung

DangerH301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]P261, P264, P264+P265, P270, P272, P280, P301+P316, P302+P352, P305+P351+P338, P321, P330, P333+P317, P337+P317, P362+P364, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard Classes and Categories

Acute Tox. 3 (100%)

Wassergefährdungsklasse (WGK)

UN-Transportnummer

UN 2811 6.1 / PGIII

Zollcode

29333999

R-Sätze (R)

22-36-43

Gefahrensymbole

Sicherheitshinweise (S)

26-36/37

Lagerklasse

6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

Gefahrenklasse

Acute Tox. 3 OralEye Irrit. 2Skin Sens. 1