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HCID 252513Erstellt: 31. Oktober 2026

7-Nitro-1,2,3,4-tetrahydroquinoline

7-Nitro-1 · 7-Nitro-1,2,3,4-Terahydroquinoline · 7-NITRO-1,2,3,4-TETRAHYDROQUINOLINE · 1,2,3,4-TETRAHYDRO-7-NITROQUINOLINE · 7-Nitro-1,2,3,4-tetrahydroquinoline>Quinoline, 1,2,3,4-tetrahydro-7-nitro- · 7-Nitro-1,2,3,4-tetrahydroquinoline,95% · 7-NITRO-1,2,3,4-TETRAHYDRO-QUINOLINE HYDROCHLORIDE · 7-Nitro-1,2,3,4-tetrahydroquinoline 1,2,3,4-Tetrahydro-7-nitroquinoline

https://huagongshe.com/de/chemical/252513

Molekülstruktur von 7-Nitro-1,2,3,4-tetrahydroquinoline

Identifikatoren & physikalische Daten

CAS No.	30450-62-5
Summenformel	C9H10N2O2
Durchschnittliche Molmasse	178,19 g/mol
Monoisotopische Masse	178,07422756 g/mol
SMILES	O=[N+]([O-])c1ccc2c(c1)NCCC2
InChIKey	WSWMGHRLUYADNA-UHFFFAOYSA-N
PubChem CID	252513
EC No.	634-828-4
DTXSID	DTXSID10291260

Chemische & physikalische Eigenschaften

XLogP	2,3
Polarare Oberfläche (TPSA)	57,9
H-Brücken-Donoren	1
H-Brücken-Akzeptoren	3
Frei drehbare Bindungen	0
Schwere Atome	13
Formalladung	0
Komplexität	202
Schmelzpunkt	61.0 to 65.0 °C
Siedepunkt	325.2±31.0 °C(Predicted)
Dichte	1.236±0.06 g/cm3(Predicted)
Lagerbedingungen	Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit	soluble in Methanol
pKa (Säurekonstante)	3.44±0.20(Predicted)
Aggregatzustand	Powder
Farbe	Red
InChI	InChI=1S/C9H10N2O2/c12-11(13)8-4-3-7-2-1-5-10-9(7)6-8/h3-4,6,10H,1-2,5H2
InChIKey	WSWMGHRLUYADNA-UHFFFAOYSA-N
SMILES	N1C2=C(C=CC([N+]([O-])=O)=C2)CCC1
CAS Datenbank	30450-62-5(CAS DataBase Reference)

Sicherheit & Vorschriften

GHS-Einstufung	DangerH301 (95.1%): Toxic if swallowed [Danger Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P316, 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 41 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. 3 (95.1%)
UN-Transportnummer	UN 2811 6.1 / PGIII
Zollcode	2933499090
R-Sätze (R)	25
Gefahrensymbole	T
Sicherheitshinweise (S)	45
Lagerklasse	6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Gefahrenklasse	Acute Tox. 3 Oral

7-Nitro-1,2,3,4-tetrahydroquinoline

CAS No.

30450-62-5

Summenformel

C9H10N2O2

Durchschnittliche Molmasse

178,19 g/mol

Monoisotopische Masse

178,07422756 g/mol

SMILES

O=[N+]([O-])c1ccc2c(c1)NCCC2

InChIKey

WSWMGHRLUYADNA-UHFFFAOYSA-N

PubChem CID

252513

EC No.

634-828-4

DTXSID

DTXSID10291260

Chemische & physikalische Eigenschaften

XLogP

2,3

Polarare Oberfläche (TPSA)

57,9

H-Brücken-Donoren

H-Brücken-Akzeptoren

Frei drehbare Bindungen

Schwere Atome

Formalladung

Komplexität

202

Schmelzpunkt

61.0 to 65.0 °C

Siedepunkt

325.2±31.0 °C(Predicted)

Dichte

1.236±0.06 g/cm3(Predicted)

Lagerbedingungen

Keep in dark place,Sealed in dry,Room Temperature

Löslichkeit

soluble in Methanol

pKa (Säurekonstante)

3.44±0.20(Predicted)

Aggregatzustand

Powder

Farbe

Red

InChI

InChI=1S/C9H10N2O2/c12-11(13)8-4-3-7-2-1-5-10-9(7)6-8/h3-4,6,10H,1-2,5H2

InChIKey

WSWMGHRLUYADNA-UHFFFAOYSA-N

SMILES

N1C2=C(C=CC([N+]([O-])=O)=C2)CCC1

CAS Datenbank

30450-62-5(CAS DataBase Reference)

Sicherheit & Vorschriften

GHS-Einstufung

DangerH301 (95.1%): Toxic if swallowed [Danger Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P316, 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 41 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. 3 (95.1%)

UN-Transportnummer

UN 2811 6.1 / PGIII

Zollcode

2933499090

R-Sätze (R)

Gefahrensymbole

Sicherheitshinweise (S)

Lagerklasse

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

Gefahrenklasse

Acute Tox. 3 Oral