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HCID 138341Erstellt: 27. Oktober 2026

n-Heptyl isocyanate

Heptyl iscyante · HEPTYL ISOCYANATE · HeptylIsocyanate>N-HEPTYL ISOCYANATE · 1-HEPTYL ISOCYANATE · Heptyl isocyanate,97% · Heptane, 1-isocyanato- · 1-Heptylisocyanate,98% · Heptyl isocyanate, 97% 5GR

https://huagongshe.com/de/chemical/138341

Identifikatoren & physikalische Daten

CAS No.	4747-81-3
Summenformel	C8H15NO
Durchschnittliche Molmasse	141,21 g/mol
Monoisotopische Masse	141,1153641 g/mol
SMILES	CCCCCCCN=C=O
InChIKey	RFXBSYPBSRSQDU-UHFFFAOYSA-N
PubChem CID	138341
EC No.	625-979-7
DTXSID	DTXSID10197152

Chemische & physikalische Eigenschaften

XLogP	3,9
Polarare Oberfläche (TPSA)	29,4
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	2
Frei drehbare Bindungen	6
Schwere Atome	10
Formalladung	0
Komplexität	106
SpringerMaterials Properties	Boiling point
Siedepunkt	75 °C/15 mmHg (lit.)
Dichte	0.876 g/mL at 25 °C (lit.)
Brechungsindex	n20/D 1.426(lit.)
Flammpunkt	145 °F
Lagerbedingungen	Refrigerator
Aggregatzustand	clear liquid
Farbe	Colorless to Light yellow to Light orange
BRN	1754817
InChI	1S/C8H15NO/c1-2-3-4-5-6-7-9-8-10/h2-7H2,1H3
InChIKey	RFXBSYPBSRSQDU-UHFFFAOYSA-N
SMILES	CCCCCCCN=C=O
CAS Datenbank	4747-81-3(CAS DataBase Reference)

Sicherheit & Vorschriften

GHS-Einstufung	DangerH302 (97.7%): Harmful if swallowed [Warning Acute toxicity, oral]P233, P260, P261, P264, P264+P265, P270, P271, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P342+P316, P362+P364, P403, 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 (97.7%)
Wassergefährdungsklasse (WGK)	3
UN-Transportnummer	UN 2206 6.1/PG 3
Zollcode	29291000
R-Sätze (R)	10-20/21/22-36/37/38-41
Gefahrensymbole	Xn
Sicherheitshinweise (S)	16-26-36/37/39-45
Gefahrenklasse	6.1Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Dam. 1Resp. Sens. 1Skin Irrit. 2Skin Sens. 1STOT SE 3
Verpackungsgruppe	III
Lagerklasse	6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

CAS No.

4747-81-3

Summenformel

C8H15NO

Durchschnittliche Molmasse

141,21 g/mol

Monoisotopische Masse

141,1153641 g/mol

SMILES

CCCCCCCN=C=O

InChIKey

RFXBSYPBSRSQDU-UHFFFAOYSA-N

PubChem CID

138341

EC No.

625-979-7

DTXSID

DTXSID10197152

Chemische & physikalische Eigenschaften

XLogP

3,9

Polarare Oberfläche (TPSA)

29,4

H-Brücken-Donoren

H-Brücken-Akzeptoren

Frei drehbare Bindungen

Schwere Atome

Formalladung

Komplexität

106

SpringerMaterials Properties

Boiling point

Siedepunkt

75 °C/15 mmHg (lit.)

Dichte

0.876 g/mL at 25 °C (lit.)

Brechungsindex

n20/D 1.426(lit.)

Flammpunkt

145 °F

Lagerbedingungen

Refrigerator

Aggregatzustand

clear liquid

Farbe

Colorless to Light yellow to Light orange

BRN

1754817

InChI

1S/C8H15NO/c1-2-3-4-5-6-7-9-8-10/h2-7H2,1H3

InChIKey

RFXBSYPBSRSQDU-UHFFFAOYSA-N

SMILES

CCCCCCCN=C=O

CAS Datenbank

4747-81-3(CAS DataBase Reference)

Sicherheit & Vorschriften

GHS-Einstufung

DangerH302 (97.7%): Harmful if swallowed [Warning Acute toxicity, oral]P233, P260, P261, P264, P264+P265, P270, P271, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P342+P316, P362+P364, P403, 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 (97.7%)

Wassergefährdungsklasse (WGK)

UN-Transportnummer

UN 2206 6.1/PG 3

Zollcode

29291000

R-Sätze (R)

10-20/21/22-36/37/38-41

Gefahrensymbole

Sicherheitshinweise (S)

16-26-36/37/39-45

Gefahrenklasse

6.1Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Dam. 1Resp. Sens. 1Skin Irrit. 2Skin Sens. 1STOT SE 3

Verpackungsgruppe

III

Lagerklasse

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