Basic information
- CAS
22095-98-3- Standard SMILES
Nc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(N)cc3)cc2)cc1- InChIKey
FPXWISWMBLVKOD-UHFFFAOYSA-N- Molecular formula
- C20H16N2O4
- Average molar mass
- 348.4 g/mol
- Monoisotopic mass
- 348.111007
Names & identifiers
- Preferred name
- (4-(4-Aminobenzoyl)oxyphenyl) 4-aminobenzoate
- IUPAC
- [4-(4-aminobenzoyl)oxyphenyl] 4-aminobenzoate
- English name
- [4-(4-aminobenzoyl)oxyphenyl] 4-aminobenzoate
- Molecular formula
- C20H16N2O4
- Molecular weight
- 348.35
Names & synonyms
[4-(4-aminobenzoyl)oxyphenyl] 4-aminobenzoateDTXSID50314669(4-(4-Aminobenzoyl)oxyphenyl) 4-aminobenzoateRefChem:1050375DTXCID4026579222095-98-31,4-Phenylene bis(4-aminobenzoate)MFCD00991409NSC287082SCHEMBL107649[4-(4-aminobenzoyl)oxyphenyl] 4-aminobenzoate (ABHQ)NSC-287082
Show more names
ABHQ1,4-Bis(4-aminobenzoyloxy)benzenebenzene-1,4-diyl bis(4-aminobenzoate)1,4-Benzenediol, 1,4-bis(4-aminobenzoate)
B6311A852588FPXWISWMBLVKOD-UHFFFAOYSA-NAS-86323SY453717G71980F980797[4-(4-aminophenyl)carbonyloxyphenyl] 4-azanylbenzoate
Database identifiers
- CAS
22095-98-3- PubChem CID
- 323908
- DTXSID
DTXSID50314669- EC Number
- 881-299-2
- Nikkaji
- J814.844I
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 430
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical structure
Physicochemical properties
- Melting point
- 310 °C · 310 °C
- Boiling point
- 608.6 · 608.6±50.0 °C(Predicted)
- Density
- 1.335 · 1.335±0.06 g/cm3(Predicted)
- pka
- 2.21 · 2.21±0.10(Predicted)
- InChI
- InChI=1S/C20H16N2O4/c21-15-5-1-13(2-6-15)19(23)25-17-9-11-18(12-10-17)26-20(24)14-3-7-16(22)8-4-14/h1-12H,21-22H2
- InChIKey
- FPXWISWMBLVKOD-UHFFFAOYSA-N
- SMILES
- C1(OC(=O)C2=CC=C(N)C=C2)=CC=C(OC(=O)C2=CC=C(N)C=C2)C=C1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
Uses[4-(4-aminobenzoyl)oxyphenyl] 4-aminobenzoate is an organic carboxylic acid ester and can be used as a pharmaceutical intermediate.
Upstream & downstream products
Upstream raw materials
Suppliers55 total
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
河南闰霖化工有限公司+86-18738066252; +86-18738066252 · [email protected]
上海大然化学有限公司021-64478606 · [email protected]
湖南嘉航医药科技有限公司85521272 18229978283 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
Hebei Yanxi Chemical Co., Ltd.+86-17531190177 · [email protected]
深圳市悦荣科技有限公司0755-36694831 13316862761 · [email protected]
济南朗化化工有限公司0531-85906691 18660816586 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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