Chloromethyl pentanoate
Basic information
- CAS
77877-94-2- Standard SMILES
CCCCC(=O)OCCl- InChIKey
ZYDSTVMBNBPPLQ-UHFFFAOYSA-N- Molecular formula
- C6H11ClO2
- Average molar mass
- 150.6 g/mol
- Monoisotopic mass
- 150.0447573
Names & identifiers
- Preferred name
- Chloromethyl pentanoate
- IUPAC
- chloromethyl pentanoate
Names & synonyms
Chloromethyl pentanoate77877-94-2Pentanoic acid, chloromethyl esterDTXSID30335453RefChem:125447DTXCID80286542836-362-9ZYDSTVMBNBPPLQ-UHFFFAOYSA-NChloromethylpentanoateSCHEMBL698125MFCD19232087AKOS006386107
Show more names
EN300-375306G82796
Database identifiers
- CAS
77877-94-2- PubChem CID
- 525232
- DTXSID
DTXSID30335453- EC Number
- 836-362-9
- Nikkaji
- J1.837.670I
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 83.1
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
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P319, P321, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Suppliers
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Related reactions
0 records
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Compound notes
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