Grundinformationen
- Standard-SMILES
CC(C)C(=O)Cl- InChIKey
DGMOBVGABMBZSB-UHFFFAOYSA-N- Summenformel
- C4H7ClO
- Durchschnittliche Molmasse
- 106,55 g/mol
- Monoisotopische Masse
- 106,01854252
Überblick
Isobutyryl chloride appears as a colorless liquid. Irritates skin, eyes and mucous membranes. Toxic by ingestion, inhalation and skin absorption. Used to make other chemicals.
Namen und Bezeichner
- Bevorzugter Name
- Isobutyryl chloride
- IUPAC
- 2-methylpropanoyl chloride
- Lokaler Name
- Isobutyrylchlorid
- Englischer Name
- Isobutyryl chloride
- Summenformel
- C4H7ClO
- Molmasse
- 106.55
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
79-30-1- PubChem CID
- 62325
- DTXSID
DTXSID0052542- UNII
- 6617F0VJZC
- EC Number
- 201-194-1
- Nikkaji
- J3.839C
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,8
- Polarare Oberfläche (TPSA)
- 17,1 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 6
- Formalladung
- 0
- Komplexität
- 58,6
Experimentelle und physikochemische Eigenschaften
Chemical Classes
Toxic Gases & Vapors -> Acid Halides
Flammable agents - 3rd degree
Physical Description
Isobutyryl chloride appears as a colorless liquid. Irritates skin, eyes and mucous membranes. Toxic by ingestion, inhalation and skin absorption. Used to make other chemicals.
Liquid; [Alfa Aesar MSDS]
Physikochemische Eigenschaften
- Schmelzpunkt
- -90 °C · -90 °C (lit.)
- Siedepunkt
- 91 · 91-93 °C (lit.)
- Dichte
- 1.017 g/mL · 1.017 g/mL at 25 °C (lit.)
- Dampfdruck
- 0.07 mm · 0.07 mm Hg ( 20 °C)
- Brechungsindex
- 20 · n20/D 1.407(lit.)
- Flammpunkt
- 34 °F · 34 °F
- storage temp.
- 30 °C · Store below +30°C.
- Löslichkeit
- Miscible with chloroform, glacial acetic acid, ether, toluene, methylene chloride and benzene.
- Aggregatzustand
- Liquid
- Farbe
- Clear
- Geruch (Odor)
- Stench
- PH
- 7 · <7 (H2O)
- Explosionsgrenze
- 2.1 · 2.1-8.2%(V)
- Wasserlöslichkeit
- Reacts
- BRN
- 605393 · 605393
- InChI
- 1S/C4H7ClO/c1-3(2)4(5)6/h3H,1-2H3
- InChIKey
- DGMOBVGABMBZSB-UHFFFAOYSA-N
- SMILES
- CC(C)C(Cl)=O
- CAS Datenbank
- 79 · 79-30-1(CAS DataBase Reference)
- NIST chemische Informationen
- 2 · 2-Methylpropanoyl chloride(79-30-1)
- EPA chemische Informationen
- 2 · Propanoyl chloride, 2-methyl- (79-30-1)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H225: Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)
Danger
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P234, P240, P241, P242, P243, P260, P264, P264+P265, P270, P271, P280, P284, P301+P317, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P320, P321, P330, P363, P370+P378, P390, P403+P233, P403+P235, P405, P406, and P501 (click each P-code to see the statement)
Gefahrenhinweise
Regulatory Information
Status: Active Update: 20-12-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/13467
Isobutyryl 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 155 [Substances - Toxic and/or Corrosive (Flammable / Water-Sensitive)]:
· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames.
Health Hazards
Excerpt from ERG Guide 155 [Substances - Toxic and/or Corrosive (Flammable / 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 eye irritant; Causes focal lung fibrosis and acute pulmonary edema in inhalation lethal-concentration studies of rats; [RTECS] Causes burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; [Alfa Aesar MSDS]
Reactivity Profile
ISOBUTYRYL CHLORIDE is water reactive. Incompatible with strong oxidizing agents, alcohols, bases (including amines). 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
Isobutyryl chloride
UN2395
Class 3 Flammable and combustible liquid (49 eCFR § 173.120)
Class 3 Flammable and combustible liquid (49 eCFR § 173.120)
PG II: the degree of danger presented by the material is medium
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 155 [Substances - Toxic and/or Corrosive (Flammable / Water-Sensitive)]:
General First Aid:
Exposure Control and Personal Protection
· Wear positive pressure self-contained breathing apparatus (SCBA).
TIH (Toxic Inhalation Hazard) - Term used to describe gases and volatile liquids that are toxic when inhaled. Some are TIH materials themselves, e.g., chlorine, and some release TIH gases when spilled in water, e.g., chlorosilanes. [ERG 2016].
Isolation and Evacuation
Excerpt from ERG Guide 155 [Substances - Toxic and/or Corrosive (Flammable / Water-Sensitive)]:
Immediate precautionary measure
When spilled in water
When spilled in water
Toxikologische Informationen
Sicherheitsdaten
- F
- 13
- wgk
- 1
- tsca
- TSCA listed
- ridadr
- UN 2395
- hs_code
- 29159080
- RTECS-Nr.
- UC3944000
- risk_code
- 11-35-23
- hazard_code
- F,C,T
- hazard_note
- Highly Flammable/Corrosive/Moisture Sensitive
- safety_code
- 16-23-26-36-45-36/37/39-28A
- hazard_class
- 3
- packing_group
- II
- Speicherklasse
- 3 - Flammable liquids
- Hazard Classifications
- Flam. Liq. 2Skin Corr. 1A
- Selbstentzündungstemperatur
- 325 °C
Chemie und Industrie
Verwendung und Herstellung
Anwendungen
VerwendenIsobutyryl chloride is used in the preparation of fully isobutyramide terminated hyperbranched polyethylenimines. It plays an important role in the separation and identification of shikonin and its ester derivatives in the root epidermis of Echium italicum L. It acts as an acylating agent for the ketimine derivatives of alfa-amino esters, nucleosides and pyrroles. Further, it is used in the preparation of organic peroxides. In addition to this, it is used as an intermediate for dyes, textile auxiliaries and peroxide compounds.
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