Grundinformationen
- Standard-SMILES
O=C(Cl)/C=C/C(=O)Cl- InChIKey
ZLYYJUJDFKGVKB-OWOJBTEDSA-N- Summenformel
- C4H2Cl2O2
- Durchschnittliche Molmasse
- 152,96 g/mol
- Monoisotopische Masse
- 151,94318466
Überblick
Fumaryl chloride appears as a straw colored fuming liquid with a pungent odor. Vapors irritate the eyes and mucous membranes. Corrosive to metals and tissue.
Namen und Bezeichner
- Bevorzugter Name
- Fumaryl chloride
- IUPAC
- (E)-but-2-enedioyl dichloride
- Lokaler Name
- 2-Butendioyldichlorid, (E)-
- Englischer Name
- Fumaryl chloride
- Summenformel
- C4H2Cl2O2
- Molmasse
- 152.96
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
627-63-4- PubChem CID
- 5325504
- DTXSID
DTXSID3033519- ChEMBL
CHEMBL2143883- UNII
- B95L4812RG
- EC Number
- 211-005-4
- Nikkaji
- J517G、J581.481B
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,5
- Polarare Oberfläche (TPSA)
- 34,1 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 8
- Formalladung
- 0
- Komplexität
- 123
Experimentelle und physikochemische Eigenschaften
Chemical Classes
Toxic Gases & Vapors -> Acid Halides
Corrosives
Physical Description
Fumaryl chloride appears as a straw colored fuming liquid with a pungent odor. Vapors irritate the eyes and mucous membranes. Corrosive to metals and tissue.
Fuming straw-colored liquid with a pungent odor; [CAMEO] Colorless liquid with an acrid odor; [Alfa Aesar MSDS]
Physikochemische Eigenschaften
- Schmelzpunkt
- -2 °C · -2 °C
- Siedepunkt
- 161 · 161-164 °C(lit.)
- Dichte
- 1.415 g/mL · 1.415 g/mL at 25 °C(lit.)
- Brechungsindex
- 20 · n20/D 1.499(lit.)
- Flammpunkt
- 165 °F · 165 °F
- storage temp.
- 2 · 2-8°C
- Aggregatzustand
- Liquid
- Wichte
- 1.415 · 1.415 (20/4℃)
- Farbe
- Clear yellow
- Wasserlöslichkeit
- decomposes
- BRN
- 1721342 · 1721342
- InChI
- 1S/C4H2Cl2O2/c5-3(7)1-2-4(6)8/h1-2H/b2-1+
- InChIKey
- ZLYYJUJDFKGVKB-OWOJBTEDSA-N
- SMILES
- ClC(=O)\C=C\C(Cl)=O
- CAS Datenbank
- 627 · 627-63-4(CAS DataBase Reference)
- NIST chemische Informationen
- Fumaryl chloride(627-63-4)
- EPA chemische Informationen
- 2 · 2-Butenedioyl dichloride, (2E)- (627-63-4)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 47 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Fumaryl chloride: Does not have an individual approval but may be used under an appropriate group standard
The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)
Fire Hazards
Excerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]:
· Combustible material: may burn but does not ignite readily.
Health Hazards
Excerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]:
· TOXIC and/or CORROSIVE; inhalation, ingestion or contact (skin, eyes) with vapors, dusts or substance may cause severe injury, burns or death.
Hazards Summary
A severe skin and eye irritant; Causes musculoskeletal changes in inhalation lethal-concentration studies of mice; [RTECS] Corrosive to tissue; Vapor causes eye and mucous membrane irritation; [CAMEO] Reacts with water; Causes burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; Harmful by ingestion, inhalation, and skin absorption; [Alfa Aesar MSDS]
Reactivity Profile
FUMARYL CHLORIDE is incompatible with strong oxidizing agents, alcohols, amines and other bases. May react vigorously or explosively if mixed with diisopropyl ether or other ethers in the presence of trace amounts of metal salts [J. Haz. Mat., 1981, 4, 291].
DOT Hazard Classification
Fumaryl chloride
UN1780
Class 8 Corrosive material (49 eCFR § 173.136)
PG II: the degree of danger presented by the material is medium
Hazard Classes and Categories
Acute Tox. 4 (100%)
Corrosives, Flammable agents - 2nd degree, Reactive agents - 2nd degree
Sicherheit und Schutzausrüstung
Accidental Release Measures
· CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.
· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area.
First Aid
Excerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]:
General First Aid:
Isolation and Evacuation
Excerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]:
Immediate precautionary measure
Toxikologische Informationen
Sicherheitsdaten
- F
- 21
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 1780
- hs_code
- 29171990
- RTECS-Nr.
- LT2800000
- risk_code
- 20/21/22-34-37-29-36/37-14
- hazard_code
- C
- safety_code
- 26-36/37/39-45-8-27
- hazard_class
- 8
- packing_group
- II
- Speicherklasse
- 8A - Combustible corrosive hazardous materials
- Hazard Classifications
- Acute Tox. 4 DermalAcute Tox. 4 OralSkin Corr. 1B
Chemie und Industrie
Verwendung und Herstellung
Anwendungen
VerwendenFumaryl chloride was used in the preparation of high molecular weight poly(propylene fumarate). The photodissociation dynamics of fumaryl chloride was studied. It is used in agrochemicals and pharmaceuticals manufacturing. Also used as an intermediate for dyes, textile auxiliaries and peroxide compounds. It is an acid halide building block.
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