2-Propylvaleryl chloride
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Basic information
- CAS
2936-08-5- Standard SMILES
CCCC(CCC)C(=O)Cl- InChIKey
PITHYUDHKJKJNQ-UHFFFAOYSA-N- Molecular formula
- C8H15ClO
- Average molar mass
- 162.66 g/mol
- Monoisotopic mass
- 162.08114278
Names & identifiers
- Preferred name
- 2-Propylvaleryl chloride
- IUPAC
- 2-propylpentanoyl chloride
- English name
- 2,2-DI-N-PROPYLACETYL CHLORIDE
- Molecular formula
- C8H15ClO
- Molecular weight
- 162.66
Names & synonyms
2-Propylvaleryl chloride2-Propylpentanoyl chloride2936-08-5Pentanoyl chloride, 2-propyl-SQT2TYW2PRPITHYUDHKJKJNQ-UHFFFAOYSA-DTXSID40183583EINECS 220-914-5VALERYL CHLORIDE, 2-PROPYL-RefChem:483294DTXCID80106074220-914-5
Show more names
Propylvaleroylchloride2-N-PropylvalerylchlorideHeptane-4-carbonylchlorideDI-N-PROPYLACETYL CHLORIDE2-PropylvalerylChloride>2-N-Propylpentanoylchloride
InChI=1/C8H15ClO/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H32,2-di-n-Propylacetyl chlorideValproyl Chloride2,2-DI-N-PROPYLACETYLCHLORIDEDipropylacetyl Chloride2-Propylvaleroyl ChlorideMFCD000514462-n-Propyl-n-valeroyl chloride
Database identifiers
- CAS
2936-08-5- PubChem CID
- 76240
- DTXSID
DTXSID40183583- UNII
- SQT2TYW2PR
- EC Number
- 220-914-5
- Nikkaji
- J150.904G
Properties
Computed structural propertiesFilling in
- XLogP
- 3.7
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 95.4
Physicochemical properties
- Boiling point
- 68 · 68-70°C 10mm
- Density
- 0 · 0,95 g/cm3
- refractive index
- 1.431 · 1.4310-1.4330
- Flash point
- 68 · 68-70°C/10mm
- storage temp.
- RT, stored under nitrogen
- form
- clear liquid
- color
- Colorless to Light yellow
- Water Solubility
- Reacts with water.
- Sensitive
- Moisture Sensitive
- BRN
- 1098856 · 1098856
- InChI
- 1S/C8H15ClO/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3
- InChIKey
- PITHYUDHKJKJNQ-UHFFFAOYSA-N
- SMILES
- CCCC(CCC)C(Cl)=O
- CAS DataBase Reference
- 2936 · 2936-08-5(CAS DataBase Reference)
- FDA UNII
- 2 TYW2PR · SQT2TYW2PR
- UNSPSC Code
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
H290 (16.7%): May be corrosive to metals [Warning Corrosive to Metals]
P234, P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P390, P405, P406, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesMet. Corr. 1 (16.7%)
Safety data
- wgk
- WGK 3
- ridadr
- 3265
- hs_code
- 2915907098
- risk_code
- 34-22
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- C,Xn
- hazard_note
- Corrosive
- safety_code
- 26-36/37/39-45
- hazard_class
- 8
- Storage Class
- 11 - Combustible Solids
- packing_group
- II
- Hazard statements
- H318-H227-H290-H314
- Hazard Classifications
- Acute Tox. 4 Oral
- Precautionary statements
- P260h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P501a-P210-P234-P260-P264-P280-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P370+P378-P390-P403+P235-P405-P406-P501
Chemistry & industry
Applications
Uses2,2-Di-n-propylacetyl chloride is used to produce 1,2-bis-(2-propyl-valerylamino)-ethan.
Related reactions
60 records
Compound notes
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