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HCID 98577Erstellt: 3. November 2026

3,5-Diiodobenzoic acid

3,5-diiodobenzoate · 1,3-Diiodobenzoicacid · 3,5-diiodo-benzoicaci · 3,5-Diiodobenzoic acid · Benzoic acid, 3,5-diiodo- · tetrahydro-3-oxo-2-thiophenecarboxylicaci

https://huagongshe.com/de/chemical/98577

Molekülstruktur von 3,5-Diiodobenzoic acid

Identifikatoren & physikalische Daten

CAS No.	19094-48-5
Summenformel	C7H4I2O2
Durchschnittliche Molmasse	373,91 g/mol
Monoisotopische Masse	373,83007 g/mol
SMILES	O=C(O)c1cc(I)cc(I)c1
InChIKey	FHTJRJBWLBXVPO-UHFFFAOYSA-N
PubChem CID	98577
EC No.	630-298-3
DTXSID	DTXSID30172603

Chemische & physikalische Eigenschaften

XLogP	2,7
Polarare Oberfläche (TPSA)	37,3
H-Brücken-Donoren	1
H-Brücken-Akzeptoren	2
Frei drehbare Bindungen	1
Schwere Atome	11
Formalladung	0
Komplexität	151
Schmelzpunkt	>230°C
Siedepunkt	424.2±35.0 °C(Predicted)
Dichte	2.559±0.06 g/cm3(Predicted)
Lagerbedingungen	2-8°C(protect from light)
pKa (Säurekonstante)	3.50±0.10(Predicted)
CAS Datenbank	19094-48-5(CAS DataBase Reference)

Sicherheit & Vorschriften

GHS-Einstufung	WarningH302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): 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, 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 3 reports by companies from 3 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	Acute Tox. 4 (33.3%)Skin Irrit. 2 (100%)Eye Irrit. 2A (100%)STOT SE 3 (100%)
Zollcode	2916399090
R-Sätze (R)	36/37/38
Toxizität	mouse,LD50,intravenous,180mg/kg (180mg/kg),Journal of Organic Chemistry. Vol. 22, Pg. 1686, 1957.
Gefahrensymbole	Xi
Sicherheitshinweise (S)	26-36/37/39

CAS No.

19094-48-5

Summenformel

C7H4I2O2

Durchschnittliche Molmasse

373,91 g/mol

Monoisotopische Masse

373,83007 g/mol

SMILES

O=C(O)c1cc(I)cc(I)c1

InChIKey

FHTJRJBWLBXVPO-UHFFFAOYSA-N

PubChem CID

98577

EC No.

630-298-3

DTXSID

DTXSID30172603

Chemische & physikalische Eigenschaften

XLogP

2,7

Polarare Oberfläche (TPSA)

37,3

H-Brücken-Donoren

H-Brücken-Akzeptoren

Frei drehbare Bindungen

Schwere Atome

Formalladung

Komplexität

151

Schmelzpunkt

>230°C

Siedepunkt

424.2±35.0 °C(Predicted)

Dichte

2.559±0.06 g/cm3(Predicted)

Lagerbedingungen

2-8°C(protect from light)

pKa (Säurekonstante)

3.50±0.10(Predicted)

CAS Datenbank

19094-48-5(CAS DataBase Reference)

Sicherheit & Vorschriften

GHS-Einstufung

WarningH302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): 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, 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 3 reports by companies from 3 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

Acute Tox. 4 (33.3%)Skin Irrit. 2 (100%)Eye Irrit. 2A (100%)STOT SE 3 (100%)

Zollcode

2916399090

R-Sätze (R)

36/37/38

Toxizität

mouse,LD50,intravenous,180mg/kg (180mg/kg),Journal of Organic Chemistry. Vol. 22, Pg. 1686, 1957.

Gefahrensymbole

Sicherheitshinweise (S)

26-36/37/39