3-Chlorophthalide
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Basic information
- CAS
6295-21-2- Standard SMILES
O=C1OC(Cl)c2ccccc21- InChIKey
GHZPDRVHYHFILK-UHFFFAOYSA-N- Molecular formula
- C8H5ClO2
- Average molar mass
- 168.57 g/mol
- Monoisotopic mass
- 167.9978071
Names & identifiers
- Preferred name
- 3-Chlorophthalide
- IUPAC
- 3-chloro-3H-2-benzofuran-1-one
- English name
- 3-Chlorophthalide
- Molecular formula
- C8H5ClO2
- Molecular weight
- 168.58
Names & synonyms
3-Chlorophthalide6295-21-23-chloroisobenzofuran-1(3H)-one3-chloro-2-benzofuran-1(3h)-one3-chloro-3H-2-benzofuran-1-one1(3H)-Isobenzofuranone, 3-chloro-MFCD000115563-chloro-1,3-dihydro-2-benzofuran-1-onechlorophthalide3-chloro-1(3H)-isobenzofuranoneNSC11815EINECS 228-562-4
Show more names
3-CHLOROPHTHALIDE,97%4-[3-[3,5-bis[3-(4-morpholinyl)propyl]-1,3,5-triazinan-1-yl]propyl]morpholine
KGR7MPM5LLSCHEMBL1071165SCHEMBL30589549DTXSID501316508NSC 11815NSC-11815AKOS004907549AS-15544
Database identifiers
- CAS
6295-21-2- PubChem CID
- 95469
- DTXSID
DTXSID501316508- UNII
- KGR7MPM5LL
- EC Number
- 228-562-4
- Nikkaji
- J206.863J
Properties
Computed structural propertiesFilling in
- XLogP
- 1.7
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 181
Physicochemical properties
- Melting point
- 72 · 72-74 °C
- Boiling point
- 136 °C · 136 °C(Press: 8 Torr)
- Density
- 1.41 · 1.41±0.1 g/cm3(Predicted)
- HS Code
- 2932990090 · 2932990090
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
- hs_code
- 2932990090
Related reactions
10 records
Compound notes
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