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HCID 67541Erstellt: 27. Oktober 2026

Carbonyl cyanide phenylhydrazone

N-Phenylcarbonohydrazonoyl dicyanide · 2-Phenylhydrazonomalononitrile · (phenylhydrazono)malononitrile · Phenylhydrazonopropanedinitrile · carbonyl cyanide phenylhydrazone · (2-Phenylhydrazono)malononitrile · Phenylcarbonohydrazonoyl dicyanide · 2-[[Phenyl]hydrazono]malononitrile

https://huagongshe.com/de/chemical/67541

Molekülstruktur von Carbonyl cyanide phenylhydrazone

Identifikatoren & physikalische Daten

CAS No.	306-18-3
Summenformel	C9H6N4
Durchschnittliche Molmasse	170,17 g/mol
Monoisotopische Masse	170,05924619 g/mol
SMILES	N#CC(C#N)=NNc1ccccc1
InChIKey	MENUYOGJCXAFFU-UHFFFAOYSA-N
PubChem CID	67541
EC No.	834-905-4
DTXSID	DTXSID90184666

Chemische & physikalische Eigenschaften

XLogP	2,8
Polarare Oberfläche (TPSA)	72
H-Brücken-Donoren	1
H-Brücken-Akzeptoren	4
Frei drehbare Bindungen	2
Schwere Atome	13
Formalladung	0
Komplexität	263
SpringerMaterials Properties	15N nuclear magnetic resonance spectrum
LogP (Verteilungskoeffizient)	2.49
Schmelzpunkt	131.0 to 135.0 °C
Siedepunkt	289.7±23.0 °C(Predicted)
Dichte	1.12±0.1 g/cm3(Predicted)
Lagerbedingungen	Sealed in dry,Room Temperature
Aggregatzustand	powder to crystal
pKa (Säurekonstante)	6.76±0.10(Predicted)
Farbe	Light yellow to Yellow to Orange
InChI	InChI=1S/C9H6N4/c10-6-9(7-11)13-12-8-4-2-1-3-5-8/h1-5,12H
InChIKey	MENUYOGJCXAFFU-UHFFFAOYSA-N
SMILES	C(#N)/C(=N/NC1=CC=CC=C1)/C#N

Sicherheit & Vorschriften

GHS-Einstufung	DangerH301+H311+H331 (50%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oralacute toxicity, dermalacute toxicity, inhalation]P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and Categories	Acute Tox. 3 (50%)
UN-Transportnummer	UN 3439 6.1/PG III
Zollcode	2928.00.5000
Gefahrenklasse	IRRITANT
Verpackungsgruppe	III

Carbonyl cyanide phenylhydrazone

CAS No.

306-18-3

Summenformel

C9H6N4

Durchschnittliche Molmasse

170,17 g/mol

Monoisotopische Masse

170,05924619 g/mol

SMILES

N#CC(C#N)=NNc1ccccc1

InChIKey

MENUYOGJCXAFFU-UHFFFAOYSA-N

PubChem CID

67541

EC No.

834-905-4

DTXSID

DTXSID90184666

Chemische & physikalische Eigenschaften

XLogP

2,8

Polarare Oberfläche (TPSA)

H-Brücken-Donoren

H-Brücken-Akzeptoren

Frei drehbare Bindungen

Schwere Atome

Formalladung

Komplexität

263

SpringerMaterials Properties

15N nuclear magnetic resonance spectrum

LogP (Verteilungskoeffizient)

2.49

Schmelzpunkt

131.0 to 135.0 °C

Siedepunkt

289.7±23.0 °C(Predicted)

Dichte

1.12±0.1 g/cm3(Predicted)

Lagerbedingungen

Sealed in dry,Room Temperature

Aggregatzustand

powder to crystal

pKa (Säurekonstante)

6.76±0.10(Predicted)

Farbe

Light yellow to Yellow to Orange

InChI

InChI=1S/C9H6N4/c10-6-9(7-11)13-12-8-4-2-1-3-5-8/h1-5,12H

InChIKey

MENUYOGJCXAFFU-UHFFFAOYSA-N

SMILES

C(#N)/C(=N/NC1=CC=CC=C1)/C#N

Sicherheit & Vorschriften

GHS-Einstufung

DangerH301+H311+H331 (50%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oralacute toxicity, dermalacute toxicity, inhalation]P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard Classes and Categories

Acute Tox. 3 (50%)

UN-Transportnummer

UN 3439 6.1/PG III

Zollcode

2928.00.5000

Gefahrenklasse

IRRITANT

Verpackungsgruppe

III