2-Chloro-3-methylbutane
Basic information
- CAS
631-65-2- Standard SMILES
CC(C)C(C)Cl- InChIKey
JMTRCXPSDMMAGM-UHFFFAOYSA-N- Molecular formula
- C5H11Cl
- Average molar mass
- 106.59 g/mol
- Monoisotopic mass
- 106.054928
Names & identifiers
- Preferred name
- 2-Chloro-3-methylbutane
- IUPAC
- 2-chloro-3-methylbutane
- English name
- 2-Chloro-3-methylbutane.
- Molecular formula
- C5H11Cl
- Molecular weight
- 106.59
Names & synonyms
2-Chloro-3-methylbutane631-65-2Butane, 2-chloro-3-methyl-DTXSID20979047(.+/-.)-2-Chloro-3-methyl-butaneRefChem:86196(+-)-2-Chloro-3-methyl-butaneDTXCID501406351825-542-2JMTRCXPSDMMAGM-UHFFFAOYSA-N2-Chloro-3-methylbutane.2-chloro-3-methyl-butane
Show more names
Stiripentol Impurity153-Chloro-2-methylbutane (Contains CCl4)
X9TKJ323DNSCHEMBL232120SCHEMBL1705190SCHEMBL2799355SCHEMBL5960142SCHEMBL5960143SCHEMBL9813291AKOS009236457
Database identifiers
- CAS
631-65-2- PubChem CID
- 522085
- DTXSID
DTXSID20979047- UNII
- X9TKJ323DN
- EC Number
- 825-542-2
- Nikkaji
- J95.696A
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 32.9
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Melting point
- -96.55 °C · -96.55°C (estimate)
- Boiling point
- 93 °C · 93°C
- Density
- 0.857 · 0.8570
- refractive index
- 1.4 · 1.4000
- Symbol(GHS)
- 7 · GHS07,GHS02
- Signal word
- Warning
- Hazard statements
- 315 · H315-H335-H319-H226
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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
Warning
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS02
- Hazard statements
- H315-H335-H319-H226
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Upstream & downstream products
Downstream products
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Related reactions
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Compound notes
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