Basic information
- CAS
2323-81-1- Standard SMILES
CCOC(=O)CCCCCl- InChIKey
JHPBGAORCOXWNO-UHFFFAOYSA-N- Molecular formula
- C7H13ClO2
- Average molar mass
- 164.63 g/mol
- Monoisotopic mass
- 164.0604073
Names & identifiers
- Preferred name
- Ethyl 5-chloropentanoate
- IUPAC
- ethyl 5-chloropentanoate
- English name
- Pentanoic acid, 5-chloro-, ethyl ester
- Molecular formula
- C7H13ClO2
- Molecular weight
- 164.63
Names & synonyms
Ethyl 5-chloropentanoate2323-81-1Pentanoic acid, 5-chloro-, ethyl esterApixaban Impurity 985-Chlorovaleric acid, ethyl ester5-chloro-pentanoic acid ethyl esterMFCD00045312ethyl 5-chlorovalerateEthyl 5-chloropentanoate #orb3176021SCHEMBL1364855DTXSID40334230
Show more names
Apixaban Impurity 885-Chlorovaleric acid ethyl ester1‐chloro-N‐(4‐(4‐fluorophenyl)‐5‐(hydroxymethyl)-6-isopropylpyrimidin-2-yl)-N-methylmethanesulfonamide
CAA32381AKOS006238355BS-50129CS-0257027EN300-65865E83939F669300
Database identifiers
- CAS
2323-81-1- PubChem CID
- 520032
- DTXSID
DTXSID40334230- Nikkaji
- J567.240F
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 93
Experimental & physicochemical properties
Kovats Retention Index
1130
1145.3
1670
Physicochemical properties
- Boiling point
- 231.51 °C · 231.51°C (rough estimate)
- Density
- 1.0561 · 1.0561
- refractive index
- 1.4355 · 1.4355 (estimate)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers41 total
保定秉承新材料有限公司17531190177 · [email protected]
怀化元研达生物技术有限责任公司18711085600 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
杭州埃肯新材料有限公司15258847994
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
广州隽唐科技有限公司020-36607679 13502246435 · [email protected]
山东利腾生物科技有限公司+86-18663721413 +86-15552573001 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
湖北兴琰新材料科技有限公司13129948835 · [email protected]
上海钰康生物科技有限公司18939844854 · [email protected]
怀化元研达生物技术有限责任公司18711085600; 18229999901 · [email protected]
希瓦生物科技（广州）有限公司13268215580 · [email protected]
Related reactions
2 records
Compound notes
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