Isobutyl chloride
Basic information
- CAS
513-36-0- Standard SMILES
CC(C)CCl- InChIKey
QTBFPMKWQKYFLR-UHFFFAOYSA-N- Molecular formula
- C4H9Cl
- Average molar mass
- 92.57 g/mol
- Monoisotopic mass
- 92.03927797
Names & identifiers
- Preferred name
- Isobutyl chloride
- IUPAC
- 1-chloro-2-methylpropane
- English name
- 1-Chloro-2-methylpropane
- Molecular formula
- C4H9Cl
- Molecular weight
- 92.57
Names & synonyms
1-Chloro-2-methylpropaneISOBUTYL CHLORIDEPropane, 1-chloro-2-methyl-iso-C4H9ClUNII-95E08D17M7EINECS 208-157-995E08D17M72-CHLOROMETHYLPROPANE2-METHYLPROPYL CHLORIDEISOBUTYL CHLORIDE [MI]DTXSID40601532-METHYL-1-CHLOROPROPANE
Show more names
3-CHLORO-2-METHYLPROPANEChloroisobutaneIsobutylchlorid1-CHLOROISOBUTANEiso-Chloro-butaneChloro-2-MethylpropCHLORO-2-METHYLPROPANE
UN11271Chloro2methylpropanePropane, 1chloro2methylRefChem:149078DTXCID7040996QTBFPMKWQKYFLR-UHFFFAOYSA-N513-36-01-chloro-2-methyl-propane
Database identifiers
- CAS
513-36-0- PubChem CID
- 10554
- DTXSID
DTXSID4060153- ChEMBL
CHEMBL160966- UNII
- 95E08D17M7
- EC Number
- 208-157-9
- Nikkaji
- J2.619K
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 5
- Formal charge
- 0
- Complexity
- 17.6
Experimental & physicochemical properties
Chemical ClassesFlammable agents - 3rd degree
SolventsSolvents -> Chlorinated Aliphatics
SpringerMaterials PropertiesSchoenflies notation
LogP2.39
Density
Relative density (water = 1): 0.9
0.881 @ 20°C
SolubilitySolubility in water: none
Flash Point-10 °C
Boiling Point
69 °C
68.8 °C @760 [mm Hg]
Melting Point-131 °C
Vapor DensityRelative vapor density (air = 1): 3.2
Vapor Pressure150.0 [mmHg]
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
This chemical does not meet GHS hazard criteria for 1.2% (2 of 165) of reports.
Danger
H225 (98.8%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 165 reports by companies from 4 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: Propane, 1-chloro-2-methyl-
Status: Active Update: 13-01-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/20738
1-Chloro-2-methylpropane: 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 HazardsHighly flammable. Gives off irritating or toxic fumes (or gases) in a fire. Vapour/air mixtures are explosive.
Hazards SummaryNo listed effects of short-term or long-term exposure; [ICSC] An irritant; [Alfa Aesar MSDS] See n-Butyl chloride.
UN ClassificationUN Hazard Class: 3; UN Pack Group: II
Chemical DangersDecomposes on burning. This produces toxic and corrosive fumes including hydrogen chloride (see ICSC 0163) and phosgene (see ICSC 0007). Reacts violently with strong oxidants and powdered metals. This generates fire and explosion hazard.
Physical Dangers
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPropane, 1-chloro-2-methyl-: ACTIVE
Applications
Uses1-Chloro-2-methylpropane is used to prepare an organometllic compound, isobutyllithium by reacting with lithium using petroleum ether as a solvent.
General DescriptionThe gas-solid virial co-effiicent of 1-chloro-2-methylpropane was determined. The infrared and Raman spectra of 1-chloro-2-methylpropane was studied.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
11 records
Compound notes
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