Basic information
- CAS
20411-47-6- Standard SMILES
CCCCCCC(C)OC(=O)CCl- InChIKey
IJDHTIMWHATBKH-UHFFFAOYSA-N- Molecular formula
- C10H19ClO2
- Average molar mass
- 206.71 g/mol
- Monoisotopic mass
- 206.1073575
Names & identifiers
- Preferred name
- Octan-2-yl 2-chloroacetate
- IUPAC
- octan-2-yl 2-chloroacetate
- English name
- 1-methylheptyl chloroacetate
- Molecular formula
- C10H19ClO2
- Molecular weight
- 206.71
Names & synonyms
octan-2-yl 2-chloroacetate20411-47-61-Methylheptyl chloroacetateNSC-6018MFCD18967715NSC-404447Acetic acid, chloro-, 1-methylheptyl esterAcetic acid, 2-chloro-, 1-methylheptyl esteroctan-2-yl chloroacetateOctan-2-yl2-chloroacetateChloroacetic acid, 2-octyl esterEINECS 243-799-3
Show more names
Chloroacetic acid 1-methylheptyl ester
2-Octyl chloroacetateAI3-185222-Octanol, chloroacetate1-methylheptyl 2-chloroacetate1-Methylheptyl chloroacetate #3NP3W3Z5N8SCHEMBL28215017NSC6018
Database identifiers
- CAS
20411-47-6- PubChem CID
- 89333
- DTXSID
DTXSID801258684- UNII
- 3NP3W3Z5N8
- EC Number
- 243-799-3
- Nikkaji
- J280.587A
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 8
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 137
Physicochemical properties
- Boiling point
- 81 · 81-82 °C(Press: 2 Torr)
- Density
- 0.9868 g/cm3 · 0.9868 g/cm3
- FDA UNII
- 3 NP3W3Z5N8 · 3NP3W3Z5N8
- Symbol(GHS)
- 2 · GHS02,GHS05
- Signal word
- Danger
- Hazard statements
- 226 · H226-H314
- Precautionary statements
- 210 · P210-P233-P240-P241-P242-P243-P260-P264-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P310-P321-P363-P370+P378-P403+P235-P405-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS05
- Hazard statements
- H226-H314
- Precautionary statements
- P210-P233-P240-P241-P242-P243-P260-P264-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P310-P321-P363-P370+P378-P403+P235-P405-P501
Chemistry & industry
Suppliers10 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
诺尔凯立科技有限公司86-(0)21-31261262 373522135 · [email protected]
上海超岚化工科技中心（原宁波市超明生物科技有限公司）13301662590 · [email protected]
上海瀚思化工有限公司18916268197 · [email protected]
上海捷世凯生物科技有限公司021-57520305 13795461237 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
陕西缔都化学有限公司17691182729 17392216275 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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