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HCID 97233Erstellt: 4. November 2026

5-Bromo-2-nitrobenzaldehyde

CU48750000 · 5-Bromo-2-nitrobenzaL · 5-BROMO-2-NITRO-BENZALDEHYDE · 2-NITRO 5-BROMO-BENZALDEHYDE · Benzaldehyde, 5-broMo-2-nitro- · 5-Bromo-2-nitrobenzaldehyde >2-Nitro 5-Bromo-Benzaldehyde,>97%

https://huagongshe.com/de/chemical/97233

Molekülstruktur von 5-Bromo-2-nitrobenzaldehyde

Identifikatoren & physikalische Daten

CAS No.	20357-20-4
Summenformel	C7H4BrNO3
Durchschnittliche Molmasse	230,02 g/mol
Monoisotopische Masse	228,93745509 g/mol
SMILES	O=Cc1cc(Br)ccc1[N+](=O)[O-]
InChIKey	UFRVBZVJVRHSNR-UHFFFAOYSA-N
PubChem CID	97233
EC No.	692-651-8
DTXSID	DTXSID70174267

Chemische & physikalische Eigenschaften

XLogP	2,4
Polarare Oberfläche (TPSA)	62,9
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	3
Frei drehbare Bindungen	1
Schwere Atome	12
Formalladung	0
Komplexität	192
SpringerMaterials Properties	Crystal structure
Schmelzpunkt	71.0 to 75.0 °C
Siedepunkt	330.5±27.0 °C(Predicted)
Dichte	1.781±0.06 g/cm3(Predicted)
Lagerbedingungen	Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit	soluble in Methanol
Aggregatzustand	powder to crystal
Farbe	White to Light red to Green
InChI	InChI=1S/C7H4BrNO3/c8-6-1-2-7(9(11)12)5(3-6)4-10/h1-4H
InChIKey	UFRVBZVJVRHSNR-UHFFFAOYSA-N
SMILES	C(=O)C1=CC(Br)=CC=C1[N+]([O-])=O
CAS Datenbank	20357-20-4

Sicherheit & Vorschriften

GHS-Einstufung	WarningH302 (25%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+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 4 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 (25%)
Zollcode	2913000090
RTECS-Nr.	CU4875000
R-Sätze (R)	43
Toxizität	mouse,LD50,intravenous,32mg/kg (32mg/kg),U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#07008,
Sicherheitshinweise (S)	36/37

CAS No.

20357-20-4

Summenformel

C7H4BrNO3

Durchschnittliche Molmasse

230,02 g/mol

Monoisotopische Masse

228,93745509 g/mol

SMILES

O=Cc1cc(Br)ccc1[N+](=O)[O-]

InChIKey

UFRVBZVJVRHSNR-UHFFFAOYSA-N

PubChem CID

97233

EC No.

692-651-8

DTXSID

DTXSID70174267

Chemische & physikalische Eigenschaften

XLogP

2,4

Polarare Oberfläche (TPSA)

62,9

H-Brücken-Donoren

H-Brücken-Akzeptoren

Frei drehbare Bindungen

Schwere Atome

Formalladung

Komplexität

192

SpringerMaterials Properties

Crystal structure

Schmelzpunkt

71.0 to 75.0 °C

Siedepunkt

330.5±27.0 °C(Predicted)

Dichte

1.781±0.06 g/cm3(Predicted)

Lagerbedingungen

Keep in dark place,Sealed in dry,Room Temperature

Löslichkeit

soluble in Methanol

Aggregatzustand

powder to crystal

Farbe

White to Light red to Green

InChI

InChI=1S/C7H4BrNO3/c8-6-1-2-7(9(11)12)5(3-6)4-10/h1-4H

InChIKey

UFRVBZVJVRHSNR-UHFFFAOYSA-N

SMILES

C(=O)C1=CC(Br)=CC=C1[N+]([O-])=O

CAS Datenbank

20357-20-4

Sicherheit & Vorschriften

GHS-Einstufung

WarningH302 (25%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+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 4 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 (25%)

Zollcode

2913000090

RTECS-Nr.

CU4875000

R-Sätze (R)

Toxizität

mouse,LD50,intravenous,32mg/kg (32mg/kg),U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#07008,

Sicherheitshinweise (S)

36/37