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HCID 334400Erstellt: 27. Oktober 2026

5-Chloro-2-adamantanone

CLADON · AKOS BC-0500 · 5-CLORO-2-ADAMANTONE · 5-Chloro-2-adamantone · 5-CHLORO-2-ADAMANTANONE · 5-CHLOROADAMANTAN-2-ONE · 5-CHLORO-1-ADAMANTANONE · 5-Chloroadamantane-2-one

https://huagongshe.com/de/chemical/334400

Molekülstruktur von 5-Chloro-2-adamantanone

Identifikatoren & physikalische Daten

CAS No.	20098-17-3
Summenformel	C10H13ClO
Durchschnittliche Molmasse	184,66 g/mol
Monoisotopische Masse	184,0654927 g/mol
SMILES	O=C1C2CC3CC1CC(Cl)(C3)C2
InChIKey	JPEOUSFBWXVGFX-UHFFFAOYSA-N
PubChem CID	334400
EC No.	887-081-3
DTXSID	DTXSID80319081

Chemische & physikalische Eigenschaften

XLogP	1,8
Polarare Oberfläche (TPSA)	17,1
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	1
Frei drehbare Bindungen	0
Schwere Atome	12
Formalladung	0
Komplexität	230
Kovats Retention Index	1483
Schmelzpunkt	200 °C
Siedepunkt	289.1±33.0 °C(Predicted)
Dichte	1.24±0.1 g/cm3(Predicted)
Lagerbedingungen	2-8°C, stored under nitrogen
Löslichkeit	soluble in Methanol
Aggregatzustand	powder to crystal
Farbe	White to Almost white
InChI	InChI=1S/C10H13ClO/c11-10-3-6-1-7(4-10)9(12)8(2-6)5-10/h6-8H,1-5H2
InChIKey	JPEOUSFBWXVGFX-UHFFFAOYSA-N
SMILES	C12CC3(Cl)CC(CC(C3)C1=O)C2
CAS Datenbank	20098-17-3(CAS DataBase Reference)

Sicherheit & Vorschriften

GHS-Einstufung	This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.WarningH302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P270, P271, P280, P301+P317, 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Reported as not meeting GHS hazard criteria per 1 of 2 reports by companies.There is 1 notification provided by 1 of 2 reports by companies with hazard statement code(s).Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard Classes and Categories	Acute Tox. 4 (50%)Skin Irrit. 2 (50%)Eye Irrit. 2A (50%)STOT SE 3 (50%)
Zollcode	2914.29.5000
R-Sätze (R)	20/21/22-36/37/38
Gefahrensymbole	Xn
Sicherheitshinweise (S)	26-36
Gefahrenklasse	IRRITANT

CAS No.

20098-17-3

Summenformel

C10H13ClO

Durchschnittliche Molmasse

184,66 g/mol

Monoisotopische Masse

184,0654927 g/mol

SMILES

O=C1C2CC3CC1CC(Cl)(C3)C2

InChIKey

JPEOUSFBWXVGFX-UHFFFAOYSA-N

PubChem CID

334400

EC No.

887-081-3

DTXSID

DTXSID80319081

Chemische & physikalische Eigenschaften

XLogP

1,8

Polarare Oberfläche (TPSA)

17,1

H-Brücken-Donoren

H-Brücken-Akzeptoren

Frei drehbare Bindungen

Schwere Atome

Formalladung

Komplexität

230

Kovats Retention Index

1483

Schmelzpunkt

200 °C

Siedepunkt

289.1±33.0 °C(Predicted)

Dichte

1.24±0.1 g/cm3(Predicted)

Lagerbedingungen

2-8°C, stored under nitrogen

Löslichkeit

soluble in Methanol

Aggregatzustand

powder to crystal

Farbe

White to Almost white

InChI

InChI=1S/C10H13ClO/c11-10-3-6-1-7(4-10)9(12)8(2-6)5-10/h6-8H,1-5H2

InChIKey

JPEOUSFBWXVGFX-UHFFFAOYSA-N

SMILES

C12CC3(Cl)CC(CC(C3)C1=O)C2

CAS Datenbank

20098-17-3(CAS DataBase Reference)

Sicherheit & Vorschriften

GHS-Einstufung

This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.WarningH302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P270, P271, P280, P301+P317, 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Reported as not meeting GHS hazard criteria per 1 of 2 reports by companies.There is 1 notification provided by 1 of 2 reports by companies with hazard statement code(s).Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard Classes and Categories

Acute Tox. 4 (50%)Skin Irrit. 2 (50%)Eye Irrit. 2A (50%)STOT SE 3 (50%)

Zollcode

2914.29.5000

R-Sätze (R)

20/21/22-36/37/38

Gefahrensymbole

Sicherheitshinweise (S)

26-36

Gefahrenklasse

IRRITANT