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Basic information
- CAS
3449-63-6- Standard SMILES
O=C(O)CC(CC(=O)O)c1ccc(F)cc1- InChIKey
CNZZQTFKXGQNLI-UHFFFAOYSA-N- Molecular formula
- C11H11FO4
- Average molar mass
- 226.2 g/mol
- Monoisotopic mass
- 226.06413705
Names & identifiers
- Preferred name
- 3-(4-Fluorophenyl)pentanedioic acid
- IUPAC
- 3-(4-fluorophenyl)pentanedioic acid
- English name
- 3-(4-fluorophenyl)glutaric acid
- Molecular formula
- C11H11FO4
- Molecular weight
- 226.2
Names & synonyms
3-(4-fluorophenyl)pentanedioic acid3449-63-63-(4-Fluorophenyl)glutaric acidMFCD19352347F2189-0939EINECS 222-373-0NSC128774SCHEMBL660764orb30296983-(p-fluorophenyl)glutaric acidDTXSID501880443-(4-fluorophenyl) glutaric acid
Show more names
Pentanedioic acid, 3-(4-fluorophenyl)-3-(4-fluorophenyl)pentan-1,5-dioic acid
3-(4-fluorophenyl)pentanedioicacidSMSSF-0597595Fr212987AKOS015919773CCG-355659NSC 128774NSC-128774DS-17352
Database identifiers
- CAS
3449-63-6- PubChem CID
- 76990
- DTXSID
DTXSID50188044- EC Number
- 222-373-0
- Nikkaji
- J216.126E
Properties
Computed structural propertiesFilling in
- XLogP
- 1.1
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 243
Physicochemical properties
- Melting point
- 144 · 144-147 °C
- Boiling point
- 360.6 · 360.6±27.0 °C(Predicted)
- Density
- 1.362 · 1.362±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 4.05 · 4.05±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 260 · P260-P280-P271
- HS Code
- 2918199890 · 2918199890
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
- 2918199890
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P260-P280-P271
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers29 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
成都福尔斯特医药技术有限公司028-87078428 028-87074958 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
Shanghai Hanhong Scientific Co., Ltd.+undefined17612118332 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
泰州同新生物医药科技有限公司0523-86818997 18652728585 · [email protected]
陕西缔都医药化工有限公司
Related reactions
4 records
Compound notes
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