Isobutyrylchlorid

Isobutyryl chloride

HCID 62325CAS 79-30-1

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

Isobutyryl chloride79-30-12-Methylpropanoyl chlorideIsobutanoyl chloridePROPANOYL CHLORIDE, 2-METHYL-DTXSID0052542isopropanecarbonyl chloridei-butyryl chlorideEINECS 201-194-1UN23952-methylpropanoic acid chloride6617F0VJZC
Weitere Namen anzeigen
isobutyrylIBCLISOBUTANOYLCHLORIDEIsoburyryl chloride2-METHYLPROPIONYL CHLORIDEISOBUTRYL CHLORIDElsobutyryl chlorideISOBUTYROYL CHLORIDE
2,2-dimethylacetyl chlorideUNII-6617F0VJZCDTXCID70311152-PROPYLCARBONYL CHLORIDEEC 201-194-1UN 23952methylpropanoyl chloride2methylpropionyl chloride

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

Experimentelle und physikochemische Eigenschaften

Chemical Classes · 2 Einträge

Toxic Gases & Vapors -> Acid Halides

Flammable agents - 3rd degree

SpringerMaterials PropertiesSchoenflies notation
Physical Description · 2 Einträge

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

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

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

Hazards IdentificationWater-reactive material (WR)
Regulatory Information · 3 Einträge

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.)

DOT LabelFlammable Liquid Corrosive
Fire Hazards · 2 Einträge

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 · 2 Einträge

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 · 1 Eintrag

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]

Sicherheit und Schutzausrüstung

Fire FightingExcerpt from ERG Guide 155 [Substances - Toxic and/or Corrosive (Flammable / Water-Sensitive)]:
Accidental Release Measures · 2 Einträge

· 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 · 2 Einträge

Excerpt from ERG Guide 155 [Substances - Toxic and/or Corrosive (Flammable / Water-Sensitive)]:

General First Aid:

Exposure Control and Personal Protection · 2 Einträge

· 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].

Nonfire Spill ResponseExcerpt from ERG Guide 155 [Substances - Toxic and/or Corrosive (Flammable / Water-Sensitive)]:
Isolation and Evacuation · 4 Einträge

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

Adverse EffectsDermatotoxin - Skin burns.
Toxicity DataLCLo (rat) = 11,600 mg/m3/4hr

Sicherheitsdaten

F
13
wgk
1
tsca
TSCA listed
ridadr
UN 2395
hs_code
29159080
RTECS-Nr.
UC3944000

Chemie und Industrie

Verwendung und Herstellung

UsesToxic Gas from Spilling Chemical in Water [Category: Other]
General Manufacturing InformationPropanoyl chloride, 2-methyl-: ACTIVE
Anwendungen · 1 Eintrag

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.

Anbieter50 Anbieter

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