Basic information
- CAS
14273-89-3- Standard SMILES
COC(=O)CCCCCCl- InChIKey
RZYHYFOTLPEKJO-UHFFFAOYSA-N- Molecular formula
- C7H13ClO2
- Average molar mass
- 164.63 g/mol
- Monoisotopic mass
- 164.0604073
Names & identifiers
- Preferred name
- Methyl 6-chlorohexanoate
- IUPAC
- methyl 6-chlorohexanoate
- English name
- methyl 6-chlorohexanoate
- Molecular formula
- C7H13ClO2
- Molecular weight
- 164.62992
Names & synonyms
Methyl 6-chlorohexanoateHexanoic acid, 6-chloro-, methyl esterVS7AD9GH3Q6-Chlorohexanoic acid methyl esterEINECS 238-165-8DTXSID70162144RefChem:157720DTXCID1084635238-165-814273-89-3Methyl6-chlorohexanoateUNII-VS7AD9GH3Q
Show more names
6-Chlorocaproic acid methyl ester
SCHEMBL3287626-Chlorohexanoic acid, methyl esterMFCD09751140AKOS006326474NS00024642methyl 6-chlorohexanoate;6-Chlorocaproic acid methyl ester;6-Chlorohexanoic acid methyl ester;Einecs 238-165-8;Hexanoic acid, 6-chloro-, methyl ester
Database identifiers
- CAS
14273-89-3- PubChem CID
- 84311
- DTXSID
DTXSID70162144- UNII
- VS7AD9GH3Q
- EC Number
- 238-165-8
- Nikkaji
- J126.895C
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
1139；1152
1659；1702
Physicochemical properties
- Boiling point
- 141 °C · 141 °C(Press: 36 Torr)
- Density
- 1.035 · 1.035±0.06 g/cm3(Predicted)
- FDA UNII
- 7 AD9GH3Q · VS7AD9GH3Q
Chemistry & industry
Suppliers17 total
杭州埃肯新材料有限公司15258847994
西安美科生物科技有限公司029-18710438009 18710438009 · [email protected]
陕西纬宇新材料有限公司13772052144 13772052144 · [email protected]
上海钰康生物科技有限公司18939844854 · [email protected]
泰州市鑫泓川新材料有限公司18651157028 18651157028
武汉贝乐叶生物医药科技有限公司15871353653 18086118076 · [email protected]
湖北世腾化工科技有限公司18971850150 19086915685 · [email protected]
山东崇成能源科技有限公司18253333366 · [email protected]
临沂康爱特化工科技有限公司0523-84506864 15152665088 · [email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
SUZHOU SENFEIDA CHEMICAL CO.,LTD+86-0512-83500002 +86-15195660023 · [email protected]
扬州市普林斯医药科技有限公司18752736070
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
上海药领医药科技合伙企业（有限合伙）400-6181121 18616383988 · [email protected]
Related reactions
2 records
Compound notes
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