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HCID 95254Erstellt: 27. Oktober 2026

1-Naphthalenepropionic acid

3-(naphthalen-1-yl)propanoic acid · RARECHEM AH CK 0145 · LABOTEST-BB LT00408959 · 3-(2-furanyl)-1-propanol · 3-Naphth-1-ylpropionic acid · 1-naphthalenepropionic acid · 1-Naphthalenepropanoic acid · 3-(1-NAPHTHYL)PROPANOIC ACID

https://huagongshe.com/de/chemical/95254

Molekülstruktur von 1-Naphthalenepropionic acid

Identifikatoren & physikalische Daten

CAS No.	3243-42-3
Summenformel	C13H12O2
Durchschnittliche Molmasse	200,23 g/mol
Monoisotopische Masse	200,08372962 g/mol
SMILES	O=C(O)CCc1cccc2ccccc12
InChIKey	PRLKVVMRQFFIOQ-UHFFFAOYSA-N
PubChem CID	95254
ChEMBL	CHEMBL1904054
EC No.	671-468-7
DTXSID	DTXSID60186177

Chemische & physikalische Eigenschaften

XLogP	3,4
Polarare Oberfläche (TPSA)	37,3
H-Brücken-Donoren	1
H-Brücken-Akzeptoren	2
Frei drehbare Bindungen	3
Schwere Atome	15
Formalladung	0
Komplexität	225
Schmelzpunkt	157-159°C
Siedepunkt	297.96°C (rough estimate)
Dichte	1.0907 (rough estimate)
Brechungsindex	1.5951 (estimate)
Lagerbedingungen	Sealed in dry,Room Temperature
Löslichkeit	Chloroform (Slightly, Heated), Methanol (Slightly)
Aggregatzustand	Solid
pKa (Säurekonstante)	4.56±0.10(Predicted)
Farbe	White to Off-White
CAS Datenbank	3243-42-3(CAS DataBase Reference)

Sicherheit & Vorschriften

GHS-Einstufung	DangerH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H318 (14.3%): Causes serious eye damage [Danger Serious eye damage/eye irritation]H319 (85.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 7 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.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	Skin Irrit. 2 (100%)Eye Dam. 1 (14.3%)Eye Irrit. 2A (85.7%)STOT SE 3 (100%)
Zollcode	2916399090
Gefahrensymbole	Xi
hazard_note	Irritant

CAS No.

3243-42-3

Summenformel

C13H12O2

Durchschnittliche Molmasse

200,23 g/mol

Monoisotopische Masse

200,08372962 g/mol

SMILES

O=C(O)CCc1cccc2ccccc12

InChIKey

PRLKVVMRQFFIOQ-UHFFFAOYSA-N

PubChem CID

95254

ChEMBL

CHEMBL1904054

EC No.

671-468-7

DTXSID

DTXSID60186177

Chemische & physikalische Eigenschaften

XLogP

3,4

Polarare Oberfläche (TPSA)

37,3

H-Brücken-Donoren

H-Brücken-Akzeptoren

Frei drehbare Bindungen

Schwere Atome

Formalladung

Komplexität

225

Schmelzpunkt

157-159°C

Siedepunkt

297.96°C (rough estimate)

Dichte

1.0907 (rough estimate)

Brechungsindex

1.5951 (estimate)

Lagerbedingungen

Sealed in dry,Room Temperature

Löslichkeit

Chloroform (Slightly, Heated), Methanol (Slightly)

Aggregatzustand

Solid

pKa (Säurekonstante)

4.56±0.10(Predicted)

Farbe

White to Off-White

CAS Datenbank

3243-42-3(CAS DataBase Reference)

Sicherheit & Vorschriften

GHS-Einstufung

DangerH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H318 (14.3%): Causes serious eye damage [Danger Serious eye damage/eye irritation]H319 (85.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 7 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.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

Skin Irrit. 2 (100%)Eye Dam. 1 (14.3%)Eye Irrit. 2A (85.7%)STOT SE 3 (100%)

Zollcode

2916399090

Gefahrensymbole

hazard_note

Irritant