Grundinformationen
- Standard-SMILES
O=C(Cl)C(=O)Cl- InChIKey
CTSLXHKWHWQRSH-UHFFFAOYSA-N- Summenformel
- C2Cl2O2
- Durchschnittliche Molmasse
- 126,92 g/mol
- Monoisotopische Masse
- 125,9275346
Namen und Bezeichner
- Bevorzugter Name
- Oxalyl chloride
- IUPAC
- oxalyl dichloride
- Lokaler Name
- Oxalyldichlorid
- Englischer Name
- Oxalyl chloride
- Summenformel
- C2Cl2O2
- Molmasse
- 126.93
Namen und Synonyme
Oxalyl chlorideOxalyl dichloride79-37-8Ethanedioyl dichlorideOxalic dichlorideOxaloyl chlorideOxalic acid dichlorideOxalic acid chlorideEthanedioyl chlorideR4Y96317DWDTXSID3058822RefChem:6088
Weitere Namen anzeigen
Oxalylformyl chlorideOCCOXOxalic chlorideOCN
DTXCID0048137201-200-2oxalylchlorideFaropenem Impurity 9MFCD00000704(COCl)2EINECS 201-200-2C2Cl2O2
Datenbank-Bezeichner
- CAS
79-37-8- PubChem CID
- 65578
- DTXSID
DTXSID3058822- UNII
- R4Y96317DW
- EC Number
- 201-200-2
- Nikkaji
- J3.842C
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,7
- Polarare Oberfläche (TPSA)
- 34,1 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 6
- Formalladung
- 0
- Komplexität
- 75,5
Experimentelle und physikochemische Eigenschaften
Chemical ClassesToxic Gases & Vapors -> Acid Halides
SpringerMaterials PropertiesSchoenflies notation
Density1.4785 @ 20°C
Boiling Point63.5 °C @760 [mm Hg]
Melting Point-16 °C
Vapor Pressure150.0 [mmHg]
Physical Description
Liquid
Colorless fuming liquid with a penetrating odor; [Merck Index]
Physikochemische Eigenschaften
- Schmelzpunkt
- -10 · -10--8 °C (lit.)
- Siedepunkt
- 62 · 62-65 °C (lit.)
- Dichte
- 1.5 g/mL · 1.5 g/mL at 20 °C (lit.)
- Dampfdichte
- 4.4 · 4.4 (vs air)
- Dampfdruck
- 150 mm · 150 mm Hg ( 20 °C)
- Brechungsindex
- 20 · n20/D 1.429(lit.)
- Flammpunkt
- 176 · 176-178°C
- storage temp.
- Store Cold
- Löslichkeit
- Chloroform (Soluble), Ethyl Acetate
- Aggregatzustand
- Liquid
- Farbe
- 0 · APHA: 0-150
- Geruch (Odor)
- penetrating odor
- Wasserlöslichkeit
- reacts
- Decomposition
- 176 · 176-178 ºC
- Merck
- 14 · 14,6914
- BRN
- 1361988 · 1361988
- Dielectric constant
- 3.5 · 3.5(21℃)
- Stabilität
- Stable. Incompatible with bases, alcohols, steel, oxidizing agents, alkali metals. Moisture sensitive. Reacts violently with water, liberating toxic gas.
- InChI
- 1S/C2Cl2O2/c3-1(5)2(4)6
- InChIKey
- CTSLXHKWHWQRSH-UHFFFAOYSA-N
- SMILES
- ClC(=O)C(Cl)=O
- CAS Datenbank
- 79 · 79-37-8(CAS DataBase Reference)
- NIST chemische Informationen
- Oxalyl chloride(79-37-8)
- EPA chemische Informationen
- Ethanedioyl dichloride (79-37-8)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H260 (60%): In contact with water releases flammable gases which may ignite spontaneously [Danger Substances and mixtures which in contact with water, emit flammable gases]
P223, P231+P232, P260, P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P330+P331, P302+P335+P334, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P363, P370+P378, P402+P404, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 300 reports by companies from 34 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Chemical: Ethanedioyl dichloride
Ethanedioyl dichloride is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Ethanedioyl 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: 04-03-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/12537
Oxalyl chloride: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
Causes corneal damage and dyspnea in inhalation lethal-concentration studies of rats; [RTECS] Decomposed violently by water; A severe skin, eye, and respiratory tract irritant; Toxic; [Merck Index] Reacts violently with water evolving toxic gas; Causes burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; Toxic by inhalation; [Sigma-Aldrich MSDS] See Oxalic acid.
Hazard Classes and CategoriesWater-react. 1 (60%)
CSL Reaction Information
CSL00032
N,N-DIMETHYLFORMAMIDE + OXALYL CHLORIDE
Health Hazard
Harmful,Toxic
Chlorination
Generation of dimethylcarbamoyl chloride (carcinogen). DMCC is also toxic and a severe irritant.
Sicherheit und Schutzausrüstung
Protective Action Criteria (PAC)
0.77 [ppm]
8.5 [ppm]
51 [ppm]
Toxikologische Informationen
Adverse EffectsDermatotoxin - Skin burns.
Toxicity DataLC50 (rat) = 1,840 ppm/1hr
Sicherheitsdaten
- F
- 9-19-21
- wgk
- 2
- tsca
- TSCA listed
- ridadr
- UN 2927 6.1/PG 2
- hs_code
- 29171990
- RTECS-Nr.
- KI2950000
- risk_code
- 14-20-29-34-40-23/24/25-37-35-23
- hazard_code
- C,T
- hazard_note
- Toxic/Corrosive/Store Cold/Lacrymatory
- safety_code
- 26-36/37/39-43-45-8-24/25-23-27
- hazard_class
- 8
- packing_group
- II
- Speicherklasse
- 4.3 - Hazardous materials which set free flammable gases upon contact with water
- Hazard Classifications
- Acute Tox. 3 InhalationAcute Tox. 3 OralEye Dam. 1Skin Corr. 1BWater-react 1
Chemie und Industrie
Verwendung und Herstellung
UsesUsed as a chlorinating reagent; [Merck Index]
U.S. Production2022: 22,046 lb
Industry UsesIntermediate
General Manufacturing Information
Pharmaceutical and Medicine Manufacturing
Ethanedioyl dichloride: ACTIVE
Anwendungen
VerwendenOxalyl Chloride is used in the preparation of cardiolipin analogs which induce peroxidase activity by Cytochrome C. It is also used in the preparation of fluorescent indicators for cytosolic calcium.
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