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HCID 83690Erstellt: 27. Oktober 2026

2,5-Dibromterephthalsure

2,5-Dibromo-1,4-benzenedicarboxylic acid · JACS-13731-82-3 · 2,5-Dibromoterephtha · 2,5-Dibromterephthalsure · 2,5-DibromoterephthalicAci · 2,5-DIBROMOTEREPHTALIC ACID · 2,5-DIBROMOTEREPHTHALIC ACID · 2,5-dibromotetrephthalic acid

https://huagongshe.com/de/chemical/83690

Molekülstruktur von 2,5-Dibromterephthalsure

Identifikatoren & physikalische Daten

CAS No.	13731-82-3
Summenformel	C8H4Br2O4
Durchschnittliche Molmasse	323,92 g/mol
Monoisotopische Masse	321,84763281 g/mol
SMILES	O=C(O)c1cc(Br)c(C(=O)O)cc1Br
InChIKey	VUTICWRXMKBOSF-UHFFFAOYSA-N
PubChem CID	83690
EC No.	237-300-8
DTXSID	DTXSID4065600
Lokaler Name	2,5-Dibromterephthalsure

Chemische & physikalische Eigenschaften

XLogP	2,4
Polarare Oberfläche (TPSA)	74,6
H-Brücken-Donoren	2
H-Brücken-Akzeptoren	4
Frei drehbare Bindungen	2
Schwere Atome	14
Formalladung	0
Komplexität	230
Schmelzpunkt	320-325°C
Siedepunkt	445.0±45.0 °C(Predicted)
Dichte	2.205±0.06 g/cm3(Predicted)
Lagerbedingungen	Sealed in dry,Room Temperature
Löslichkeit	soluble in Methanol
Aggregatzustand	powder to crystal
pKa (Säurekonstante)	1.75±0.10(Predicted)
Farbe	White to Almost white
InChIKey	VUTICWRXMKBOSF-UHFFFAOYSA-N
CAS Datenbank	13731-82-3(CAS DataBase Reference)
EPA chemische Informationen	1,4-Benzenedicarboxylic acid, 2,5-dibromo- (13731-82-3)

Sicherheit & Vorschriften

GHS-Einstufung	DangerH314 (33.3%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P337+P317, P362+P364, P363, 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.
Hazard Classes and Categories	Skin Corr. 1B (33.3%)
TSCA-Inventar-Status	TSCA listed
Zollcode	2917399590
R-Sätze (R)	36/37/38
Gefahrensymbole	C,Xi
Sicherheitshinweise (S)	26-37/39-36

CAS No.

13731-82-3

Summenformel

C8H4Br2O4

Durchschnittliche Molmasse

323,92 g/mol

Monoisotopische Masse

321,84763281 g/mol

SMILES

O=C(O)c1cc(Br)c(C(=O)O)cc1Br

InChIKey

VUTICWRXMKBOSF-UHFFFAOYSA-N

PubChem CID

83690

EC No.

237-300-8

DTXSID

DTXSID4065600

Lokaler Name

2,5-Dibromterephthalsure

Chemische & physikalische Eigenschaften

XLogP

2,4

Polarare Oberfläche (TPSA)

74,6

H-Brücken-Donoren

H-Brücken-Akzeptoren

Frei drehbare Bindungen

Schwere Atome

Formalladung

Komplexität

230

Schmelzpunkt

320-325°C

Siedepunkt

445.0±45.0 °C(Predicted)

Dichte

2.205±0.06 g/cm3(Predicted)

Lagerbedingungen

Sealed in dry,Room Temperature

Löslichkeit

soluble in Methanol

Aggregatzustand

powder to crystal

pKa (Säurekonstante)

1.75±0.10(Predicted)

Farbe

White to Almost white

InChIKey

VUTICWRXMKBOSF-UHFFFAOYSA-N

CAS Datenbank

13731-82-3(CAS DataBase Reference)

EPA chemische Informationen

1,4-Benzenedicarboxylic acid, 2,5-dibromo- (13731-82-3)

Sicherheit & Vorschriften

GHS-Einstufung

DangerH314 (33.3%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P337+P317, P362+P364, P363, 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.

Hazard Classes and Categories

Skin Corr. 1B (33.3%)

TSCA-Inventar-Status

TSCA listed

Zollcode

2917399590

R-Sätze (R)

36/37/38

Gefahrensymbole

C,Xi

Sicherheitshinweise (S)

26-37/39-36