Isobutyryl chloride
Basic information
- CAS
79-30-1- Standard SMILES
CC(C)C(=O)Cl- InChIKey
DGMOBVGABMBZSB-UHFFFAOYSA-N- Molecular formula
- C4H7ClO
- Average molar mass
- 106.55 g/mol
- Monoisotopic mass
- 106.0185425
Overview
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.
Names & identifiers
- Preferred name
- Isobutyryl chloride
- IUPAC
- 2-methylpropanoyl chloride
- English name
- Isobutyryl chloride
- Molecular formula
- C4H7ClO
- Molecular weight
- 106.55
Names & synonyms
Isobutyryl chloride79-30-12-Methylpropanoyl chlorideIsobutanoyl chloridePROPANOYL CHLORIDE, 2-METHYL-i-butyryl chlorideisopropanecarbonyl chloride2-methylpropanoic acid chlorideDTXSID00525422,2-dimethylacetyl chlorideEINECS 201-194-1UN2395
Show more names
isobutyrylIBCLISOBUTANOYLCHLORIDEIsoburyryl chloride2-METHYLPROPIONYL CHLORIDEISOBUTRYL CHLORIDElsobutyryl chlorideISOBUTYROYL CHLORIDE
6617F0VJZC2-PROPYLCARBONYL CHLORIDE2methylpropionyl chlorideUN 2395UNII-6617F0VJZCDTXCID7031115EC 201-194-12methylpropanoyl chloride
Database identifiers
- CAS
79-30-1- PubChem CID
- 62325
- DTXSID
DTXSID0052542- UNII
- 6617F0VJZC
- EC Number
- 201-194-1
- Nikkaji
- J3.839C
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 58.6
Experimental & physicochemical properties
Chemical Classes
Toxic Gases & Vapors -> Acid Halides
Flammable agents - 3rd degree
SpringerMaterials PropertiesSchoenflies notation
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]
Physicochemical properties
- Melting point
- 90 °C · −90 °C
- Boiling point
- 91 · 91–93 °C (196–199 °F; 364–366 K)
- Density
- 1.017 g/mL · 1.017 g/mL
- vapor pressure
- 0.07 mm · 0.07 mm Hg ( 20 °C)
- refractive index
- 1.41 · 1.41
- Flash point
- 9 °C · 9 °C
- storage temp.
- 30 °C · Store below +30°C.
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
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)
Hazard information
Hazards IdentificationWater-reactive material (WR)
Regulatory Information
REACH registered substance: Isobutyryl chloride (EC: 201-194-1)
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
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.
Chemistry & industry
Uses & manufacturing
UsesToxic Gas from Spilling Chemical in Water [Category: Other]
General Manufacturing InformationPropanoyl chloride, 2-methyl-: ACTIVE
Applications
UsesUsually used in the synthesis of fully isobutyramide terminated hyperbranched polyethylenimines,the separation and identification of shikonin and its ester derivatives in the root epidermis of Echium italicum.
UsesIsobutyryl 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.
General DescriptionA colorless liquid. Flash point near 50°F. Irritates skin, eyes and mucous membranes. Toxic by ingestion, inhalation and skin absorption. Used to make other chemicals.
Upstream & downstream products
Upstream raw materials
Related reactions
1,193 records
Compound notes
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