Grundinformationen
- Standard-SMILES
CC(C)(C)C(=O)Cl- InChIKey
JVSFQJZRHXAUGT-UHFFFAOYSA-N- Summenformel
- C5H9ClO
- Durchschnittliche Molmasse
- 120,58 g/mol
- Monoisotopische Masse
- 120,03419259
Überblick
Trimethylacetyl chloride appears as colorless fuming liquid with a pungent odor. Very toxic by inhalation, ingestion or skin absorption. Fumes irritate the eyes and mucous membranes. Corrosive to most metals and tissue.
Namen und Bezeichner
- Bevorzugter Name
- Pivaloyl chloride
- IUPAC
- 2,2-dimethylpropanoyl chloride
- Lokaler Name
- Pivaloylchlorid
- Englischer Name
- Pivaloyl chloride
- Summenformel
- C5H9ClO
- Molmasse
- 120.58
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
3282-30-2- PubChem CID
- 62493
- DTXSID
DTXSID4027529- ChEMBL
CHEMBL3183814- UNII
- JQ82J0O21T
- EC Number
- 221-921-6
- Nikkaji
- J33.810I
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,2
- Polarare Oberfläche (TPSA)
- 17,1 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 7
- Formalladung
- 0
- Komplexität
- 80,6
Experimentelle und physikochemische Eigenschaften
Chemical Classes
Toxic Gases & Vapors -> Acid Halides
Flammable agents - 3rd degree
Boiling Point
105-106 °F
107 °C @760 [mm Hg]
Physical Description
Trimethylacetyl chloride appears as colorless fuming liquid with a pungent odor. Very toxic by inhalation, ingestion or skin absorption. Fumes irritate the eyes and mucous membranes. Corrosive to most metals and tissue.
Liquid
Colorless to yellow liquid with a pungent odor; [CHEMINFO MSDS]
Physikochemische Eigenschaften
- Schmelzpunkt
- -56 °C · -56 °C
- Siedepunkt
- 105 · 105-106 °C(lit.)
- Dichte
- 0.98 g/mL · 0.980 g/mL at 20 °C
- Dampfdichte
- 1 · >1 (vs air)
- Dampfdruck
- 36 mm · 36 mm Hg ( 20 °C)
- Brechungsindex
- 20 · n20/D 1.412(lit.)
- Flammpunkt
- 48 °F · 48 °F
- storage temp.
- 30 °C · Store below +30°C.
- Löslichkeit
- Miscible with acetonitrile.
- Aggregatzustand
- Liquid
- Farbe
- Clear almost colorless to light pink
- Explosionsgrenze
- 1.9 · 1.9-7.4%(V)
- Wasserlöslichkeit
- Hydrolysis
- BRN
- 385668 · 385668
- Stabilität
- Hygroscopic, Moisture Sensitive, Volatile
- InChI
- 1S/C5H9ClO/c1-5(2,3)4(6)7/h1-3H3
- InChIKey
- JVSFQJZRHXAUGT-UHFFFAOYSA-N
- LogP
- 1.68 · 1.680 (est)
- CAS Datenbank
- 3282 · 3282-30-2(CAS DataBase Reference)
- NIST chemische Informationen
- 2 · Propanoyl chloride, 2,2-dimethyl-(3282-30-2)
- EPA chemische Informationen
- 2 · Propanoyl chloride, 2,2-dimethyl- (3282-30-2)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 17.8% (52 of 292) of reports.
Danger
H225 (81.8%): 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)
Aggregated GHS information provided per 292 reports by companies from 19 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Danger
Gefahrenhinweise
Regulatory Information
Chemical: Propanoyl chloride, 2,2-dimethyl-
Propanoyl chloride, 2,2-dimethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Propanoyl chloride, 2,2-dimethyl- 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: 15-09-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/13938
Pivaloyl chloride: HSNO Approval: HSR004648 Approved with controls
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 131 [Flammable Liquids - Toxic]:
· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames.
Health Hazards
Excerpt from ERG Guide 131 [Flammable Liquids - Toxic]:
· TOXIC; may be fatal if inhaled, ingested or absorbed through skin.
Reactivity Profile
TRIMETHYLACETYL CHLORIDE is acidic. Incompatible with bases (including amines), strong oxidizing agents, and alcohols. 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
Trimethylacetyl chloride
UN2438
Div 6.1 Poisonous materials (49 eCFR § 173.132)
Div 6.1 Poisonous materials (49 eCFR § 173.132)
PG I: the degree of danger presented by the material is great
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 131 [Flammable Liquids - Toxic]:
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 131 [Flammable Liquids - Toxic]:
Immediate precautionary measure
Small spill:
Small spill:
Protective Action Criteria (PAC)
0.015 [ppm]
0.16 [ppm]
0.47 [ppm]
AEGLs Table
AEGL 1: Notable discomfort, irritation, or certain asymptomatic non-sensory effects. However, the effects are not disabling and are transient and reversible upon cessation of exposure (Unit: ppm)
NR
NR
NR
NR
NR
Toxikologische Informationen
Sicherheitsdaten
- F
- 9-19
- wgk
- 1
- tsca
- TSCA listed
- ridadr
- UN 2438
- hs_code
- 29159080
- risk_code
- 11-14-22-26-34-23
- hazard_code
- F,T+,T
- safety_code
- 16-26-36/37/39-45-38-28A
- hazard_class
- 6.1
- packing_group
- I
- Speicherklasse
- 3 - Flammable liquids
- Hazard Classifications
- Acute Tox. 2 InhalationAcute Tox. 4 OralEye Dam. 1Flam. Liq. 2Met. Corr. 1Skin Corr. 1B
- Selbstentzündungstemperatur
- 455°C
Chemie und Industrie
Verwendung und Herstellung
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing
Propanoyl chloride, 2,2-dimethyl-: ACTIVE
Anwendungen
VerwendenWidely used N-acylating agent for amines,1 Schiff bases,2 and pyrrolidinones3 as well as O-acylating agent for alcohols,4 lactones,5 and saccharides.6
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