Isophthaloyl chloride

HCID 7451CAS 99-63-8

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Grundinformationen

Standard-SMILES: O=C(Cl)c1cccc(C(=O)Cl)c1
InChIKey: FDQSRULYDNDXQB-UHFFFAOYSA-N
Summenformel: C8H4Cl2O2
Durchschnittliche Molmasse: 203,02 g/mol
Monoisotopische Masse: 201,95883473

Namen und Bezeichner

Bevorzugter Name: Isophthaloyl chloride
IUPAC: benzene-1,3-dicarbonyl chloride
Englischer Name: 1,3-Benzenedicarbonyl chloride
Summenformel: C8H4Cl2O2
Molmasse: 0

Namen und Synonyme

Isophthaloyl chlorideIsophthaloyl dichloride99-63-81,3-Benzenedicarbonyl dichloridem-Phthaloyl chlorideIsophthalic acid chloridem-Phthalic dichlorideIsophthalic acid dichlorideIsophthalic chloride1,3-BENZENEDICARBONYL CHLORIDEIsophthalyl dichlorideIsothaloyl chloride

Weitere Namen anzeigen

Isophthalyl chloridem-Benzenedicarbonyl chlorideDichlorid kyseliny isoftalovemeta-Phthalyl dichloridem-Phthaloyl dichlorideDTXSID30266416A3LDJ6CL31,3-Benzenedicarboxylic acid, dichloride

Datenbank-Bezeichner

CAS: 99-63-8
PubChem CID: 7451
DTXSID: DTXSID3026641
ChEMBL: CHEMBL1885739
UNII: 6A3LDJ6CL3
EC Number: 202-774-7
Nikkaji: J4.971I

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,6
Polarare Oberfläche (TPSA): 34,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 2
Schwere Atome: 12
Formalladung: 0
Komplexität: 183

Experimentelle und physikochemische Eigenschaften

Chemical ClassesToxic Gases & Vapors -> Other Toxic Gases & Vapors

SpringerMaterials PropertiesBoiling point

Density1.3880 @ 17 °C/4 °C

Color/Form · 2 Einträge

CRYSTALLINE SOLID

PRISMS FROM ETHER

Solubility · 2 Einträge

SOL IN ETHER & OTHER ORG SOLVENTS

SLIGHTLY SOL IN WATER & ALCOHOL

Flash Point356 °F OC

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

This chemical does not meet GHS hazard criteria for 0.4% (1 of 269) of reports.

Danger

H312 (99.6%): Harmful in contact with skin [Warning Acute toxicity, dermal]

P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 269 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

Gefahrenhinweise

Regulatory Information · 5 Einträge

Chemical: 1,3-Benzenedicarbonyl dichloride

Regulation (EC) No 1935/2004 (amended)

1,3-Benzenedicarbonyl dichloride is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,3-Benzenedicarbonyl dichloride are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 07-05-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/13191

Isophthaloyl dichloride: Does not have an individual approval but may be used under an appropriate group standard

Hazards Summary · 1 Eintrag

Reacts with water; [Hawley] A skin and eye irritant; [HSDB] Evolves HCl upon reaction with water; A moderate to severe skin irritant; [CHEMINFO] A corrosive substance that can cause injury to the skin, eyes, and respiratory tract; Inhalation may cause edema and chemical pneumonitis; [MSDSonline]

Hazard Classes and Categories · 2 Einträge

Acute Tox. 4 (99.6%)

Acute toxicity (Dermal) - Category 4