Basic information
- CAS
691-93-0- Standard SMILES
CC(C)OC(=O)CCCl- InChIKey
YPAMSUOJRFMSIA-UHFFFAOYSA-N- Molecular formula
- C6H11ClO2
- Average molar mass
- 150.6 g/mol
- Monoisotopic mass
- 150.0447573
Names & identifiers
- Preferred name
- Isopropyl 3-chloropropionate
- IUPAC
- propan-2-yl 3-chloropropanoate
- English name
- isopropyl 3-chloropropionate
- Molecular formula
- C6H11ClO2
- Molecular weight
- 150.6064
Names & synonyms
Isopropyl 3-chloropropionate691-93-0EINECS 211-724-31-Methylethyl 3-chloropropanoateDTXSID40219159NSC 133458RefChem:792137DTXCID10141650211-724-3propan-2-yl 3-chloropropanoateIsopropyl 3-chloropropanoatePropionic acid, 3-chloro-, isopropyl ester
Show more names
Dapoxetine Impurity 116YPAMSUOJRFMSIA-UHFFFAOYSA-NEthyl4-(1-methylethyl)benzenesulfonate3-Chloropropionic acid isopropyl ester
isopropyl3-chloropropionatePropanoic acid, 3-chloro-, 1-methylethyl esterNSC-133458NSC133458Dapoxetine Impurity 110VY8E5Q9UDQIsopropyl 3-chloropropanoate #SCHEMBL1165182
Database identifiers
- CAS
691-93-0- PubChem CID
- 69652
- DTXSID
DTXSID40219159- UNII
- VY8E5Q9UDQ
- EC Number
- 211-724-3
- Nikkaji
- J100.005E
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 91
Physicochemical properties
- FDA UNII
- 8 E5Q9UDQ · VY8E5Q9UDQ
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-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
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Suppliers5 total
上海柯维化学技术有限公司021-64609169 18901607656 · [email protected]
山东沃德森生物科技有限公司0531-88723173 18596073690 · [email protected]
深圳振强药物研发有限公司+86-0755-66853366 +86-13670046396 · [email protected]
湖北扬信医药科技有限公司15374522761 · [email protected]
深圳博泰尔生物技术有限公司13316949107 13316968096 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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