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HCID 86966Erstellt: 27. Oktober 2026

1,3-Dihydro-1,3-dioxo-2H-isoindol-2-propionylchlorid

Einecs 241-195-4 · 1-(2-Phthalimidopropionyl)chloride · 3-Phthalimidylpropanoic acid chloride · 1-(2-Phthalimidopropionyl)chloride - [P1001] · 3-(1,3-DIOXOISOINDOLIN-2-YL)PROPANOYL CHLORIDE · 3-(1,3-Dioxo-2-isoindolinyl)propanoyl Chloride · 3-Phthalimidopropanoyl Chloride (Technical Grade) · 1,3-dihydro-1,3-dioxo-2H-isoindole-2-propionyl chloride

https://huagongshe.com/de/chemical/86966

Molekülstruktur von 1,3-Dihydro-1,3-dioxo-2H-isoindol-2-propionylchlorid

Identifikatoren & physikalische Daten

CAS No.	17137-11-0
Summenformel	C11H8ClNO3
Durchschnittliche Molmasse	237,64 g/mol
Monoisotopische Masse	237,0192708 g/mol
SMILES	O=C(Cl)CCN1C(=O)c2ccccc2C1=O
InChIKey	ZEQHPUCQCWTFRP-UHFFFAOYSA-N
PubChem CID	86966
EC No.	241-195-4
DTXSID	DTXSID30169073
Lokaler Name	1,3-Dihydro-1,3-dioxo-2H-isoindol-2-propionylchlorid

Chemische & physikalische Eigenschaften

XLogP	2
Polarare Oberfläche (TPSA)	54,5
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	3
Frei drehbare Bindungen	3
Schwere Atome	16
Formalladung	0
Komplexität	318
Schmelzpunkt	107-108 °C
Siedepunkt	369.3±25.0 °C(Predicted)
Dichte	1.438±0.06 g/cm3(Predicted)
Löslichkeit	Chloroform (Slightly), DMSO (Slightly, Sonicated)
pKa (Säurekonstante)	-2.29±0.20(Predicted)
Aggregatzustand	Solid
Farbe	White to Off-White
Stabilität	Moisture Sensitive
InChI	1S/C11H8ClNO3/c12-9(14)5-6-13-10(15)7-3-1-2-4-8(7)11(13)16/h1-4H,5-6H2
InChIKey	ZEQHPUCQCWTFRP-UHFFFAOYSA-N
SMILES	ClC(=O)CCN1C(=O)c2c(cccc2)C1=O

Sicherheit & Vorschriften

GHS-Einstufung	DangerH301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]P261, P264, P270, P272, P280, P301+P316, P302+P352, P321, P330, P333+P317, P362+P364, P405, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard Classes and Categories	Acute Tox. 3 (100%)
UN-Transportnummer	UN 2811 6.1 / PGIII
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 OralSkin Sens. 1

1,3-Dihydro-1,3-dioxo-2H-isoindol-2-propionylchlorid

CAS No.

17137-11-0

Summenformel

C11H8ClNO3

Durchschnittliche Molmasse

237,64 g/mol

Monoisotopische Masse

237,0192708 g/mol

SMILES

O=C(Cl)CCN1C(=O)c2ccccc2C1=O

InChIKey

ZEQHPUCQCWTFRP-UHFFFAOYSA-N

PubChem CID

86966

EC No.

241-195-4

DTXSID

DTXSID30169073

Lokaler Name

1,3-Dihydro-1,3-dioxo-2H-isoindol-2-propionylchlorid

Chemische & physikalische Eigenschaften

XLogP

Polarare Oberfläche (TPSA)

54,5

H-Brücken-Donoren

H-Brücken-Akzeptoren

Frei drehbare Bindungen

Schwere Atome

Formalladung

Komplexität

318

Schmelzpunkt

107-108 °C

Siedepunkt

369.3±25.0 °C(Predicted)

Dichte

1.438±0.06 g/cm3(Predicted)

Löslichkeit

Chloroform (Slightly), DMSO (Slightly, Sonicated)

pKa (Säurekonstante)

-2.29±0.20(Predicted)

Aggregatzustand

Solid

Farbe

White to Off-White

Stabilität

Moisture Sensitive

InChI

1S/C11H8ClNO3/c12-9(14)5-6-13-10(15)7-3-1-2-4-8(7)11(13)16/h1-4H,5-6H2

InChIKey

ZEQHPUCQCWTFRP-UHFFFAOYSA-N

SMILES

ClC(=O)CCN1C(=O)c2c(cccc2)C1=O

Sicherheit & Vorschriften

GHS-Einstufung

DangerH301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]P261, P264, P270, P272, P280, P301+P316, P302+P352, P321, P330, P333+P317, P362+P364, P405, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard Classes and Categories

Acute Tox. 3 (100%)

UN-Transportnummer

UN 2811 6.1 / PGIII

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 OralSkin Sens. 1