HuagongsheHuagongshe Chemistry Print Report · For research reference only
Isobutyryl chloride
isobutyryl · 2-METHYLPROPANOYL CHLORIDE · IBCL · ISOBUTANOYLCHLORIDE · Isoburyryl chloride · 2-METHYLPROPIONYL CHLORIDE · ISOBUTRYL CHLORIDE · ISOBUTYRYL CHLORIDE
Identifiers & Physical Properties
| CAS No. | 79-30-1 |
|---|---|
| Molecular formula | C4H7ClO |
| Average molar mass | 106.55 g/mol |
| Monoisotopic mass | 106.01854252 g/mol |
| SMILES | CC(C)C(=O)Cl |
| InChIKey | DGMOBVGABMBZSB-UHFFFAOYSA-N |
| PubChem CID | 62325 |
| EC No. | 201-194-1 |
| DTXSID | DTXSID0052542 |
Chemical & Physical Properties
| XLogP | 1.8 |
|---|---|
| Topological polar surface area | 17.1 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 1 |
| Rotatable bonds | 1 |
| Heavy atoms | 6 |
| Formal charge | 0 |
| Complexity | 58.6 |
| Chemical classes | Toxic Gases & Vapors -> Acid HalidesFlammable agents - 3rd degree |
| SpringerMaterials Properties | Schoenflies 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.[Alfa Aesar MSDS] |
| Melting point | -90 °C (lit.) |
| Boiling point | 91-93 °C (lit.) |
| Density | 1.017 g/mL at 25 °C (lit.) |
| Vapor pressure | 0.07 mm Hg ( 20 °C) |
| Refractive index | n20/D 1.407(lit.) |
| Flash point | 34 °F |
| Storage conditions | Store below +30°C. |
| Solubility | Miscible with chloroform, glacial acetic acid, ether, toluene, methylene chloride and benzene.Reacts |
| Physical state | Liquid |
| Color | Clear |
| Odor | Stench |
| pH | <7 (H2O) |
| Explosive limits | 2.1-8.2%(V) |
| Sensitivity | Moisture Sensitive |
| BRN | 605393 |
| InChI | 1S/C4H7ClO/c1-3(2)4(5)6/h3H,1-2H3 |
| InChIKey | DGMOBVGABMBZSB-UHFFFAOYSA-N |
| SMILES | CC(C)C(Cl)=O |
| CAS DataBase Reference | 79-30-1(CAS DataBase Reference) |
| EWG's Food Scores | 1 |
| FDA UNII | 6617F0VJZC |
| NIST Chemistry Reference | 2-Methylpropanoyl chloride(79-30-1) |
| EPA Substance Registry System | Propanoyl chloride, 2-methyl- (79-30-1) |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
| GHS pictogram | GHS02,GHS05,GHS06 |
| Signal word | Danger |
| GHS hazard statements | H330-H302-H314-H225-H290 |
| GHS precautionary statements | P501-P270-P240-P260-P210-P233-P234-P243-P241-P242-P271-P264-P280-P284-P370+P378-P390-P303+P361+P353-P301+P330+P331-P363-P301+P312+P330-P304+P340+P310-P305+P351+P338+P310-P403+P233-P403+P235-P406-P405 |
| Personal protective equipment (PPE) | Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter |
| Hazard symbols | F,C,T |
| Risk statements (R) | 11-35-23 |
| Safety statements (S) | 16-23-26-36-45-36/37/39-28A |
| UN transport number | UN 2395 |
| Water hazard class (WGK) | 1 |
| RTECS number | UC3944000 |
| F | 13 |
| Autoignition temperature | 325 °C |
| Hazard Note | Highly Flammable/Corrosive/Moisture Sensitive |
| TSCA inventory status | TSCA listed |
| Hazard class | 3Flam. Liq. 2Skin Corr. 1A |
| Packing group | II |
| Customs code | 29147090 |
| Storage class | 3 - Flammable liquids |
| REACH registrations | Active |
| Limited quantities | 1.0 L (0.3 gallon) (liquid) |
| Excepted quantities | Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml) |
Safety & Regulations
| GHS classification | DangerH225: 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)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) |
|---|---|
| Hazards Identification | Water-reactive material (WR) |
| Regulatory information | Status: Active Update: 20-12-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/13467Isobutyryl chloride: Does not have an individual approval but may be used under an appropriate group standardThe 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 label | Flammable 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 CORROSIVEinhalation, ingestion or contact (skin, eyes) with vapors, dusts or substance may cause severe injury, burns or death. |
| Hazards summary | A severe eye irritantCauses focal lung fibrosis and acute pulmonary edema in inhalation lethal-concentration studies of rats[RTECS] Causes burnsInhalation may cause corrosive injuries to upper respiratory tract and lungs[Alfa Aesar MSDS] |
| DOT ID and guide | 2395 155 |
| Reactive group | Acyl Halides, Sulfonyl Halides, and Chloroformates |
| Reactivity Alerts | Highly Flammable |
| 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 chlorideUN2395Class 3 Flammable and combustible liquid (49 eCFR § 173.120)PG II: the degree of danger presented by the material is medium |
| Air and Water Reactions | Highly flammable. Produces corrosive toxic fumes containing HCl on contact with moist air. Decomposes in water. |
| Fire fighting | Excerpt from ERG Guide 155 [Substances - Toxic and/or Corrosive (Flammable / Water-Sensitive)]: |
| 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]. |
| Nonfire spill response | Excerpt from ERG Guide 155 [Substances - Toxic and/or Corrosive (Flammable / Water-Sensitive)]: |
| Isolation and Evacuation | Excerpt from ERG Guide 155 [Substances - Toxic and/or Corrosive (Flammable / Water-Sensitive)]:Immediate precautionary measureWhen spilled in water |
| Toxic-by-Inhalation (TIH) Gas | HCl - when spill Isobutyryl chloride into water. |
| Personal Protective Equipment (PPE) | Excerpt from ERG Guide 155 [Substances - Toxic and/or Corrosive (Flammable / Water-Sensitive)]: |
| Emergency Response Planning Guidelines | · Note: Most foams will react with the material and release corrosive/toxic gases. |
| Adverse effects | Dermatotoxin - Skin burns. |
| Toxicity Data | LCLo (rat) = 11,600 mg/m3/4hr |
| F | 13 |
| Personal protective equipment (PPE) | Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter |
| Water hazard class (WGK) | 1 |
| TSCA inventory status | TSCA listed |
| RTECS number | UC3944000 |
| UN transport number | UN 2395 |
| Customs code | 29159080 |
| Risk statements (R) | 11-35-23 |
| Signal word | Danger |
| GHS pictogram | GHS02,GHS05,GHS06 |
| Hazard symbols | F,C,T |
| hazard_note | Highly Flammable/Corrosive/Moisture Sensitive |
| Safety statements (S) | 16-23-26-36-45-36/37/39-28A |
| Hazard class | 3Flam. Liq. 2Skin Corr. 1A |
| Storage class | 3 - Flammable liquids |
| Packing group | II |
| GHS hazard statements | H330-H302-H314-H225-H290 |
| Limited quantities | 1.0 L (0.3 gallon) (liquid) |
| Excepted quantities | Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml) |
| REACH registrations | Active |
| Autoignition temperature | 325 °C |
| GHS precautionary statements | P501-P270-P240-P260-P210-P233-P234-P243-P241-P242-P271-P264-P280-P284-P370+P378-P390-P303+P361+P353-P301+P330+P331-P363-P301+P312+P330-P304+P340+P310-P305+P351+P338+P310-P403+P233-P403+P235-P406-P405 |
Applications & Uses
Uses
Usually 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.
Uses
Isobutyryl 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 Description
A 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.