Basic information
- CAS
531-02-2- Standard SMILES
Oc1cc(O)cc(-c2cc(O)cc(O)c2)c1- InChIKey
VZLUGGCFYPMLMI-UHFFFAOYSA-N- Molecular formula
- C12H10O4
- Average molar mass
- 218.2 g/mol
- Monoisotopic mass
- 218.0579088
Names & identifiers
- Preferred name
- Diresorcinol
- IUPAC
- 5-(3,5-dihydroxyphenyl)benzene-1,3-diol
- English name
- [1,1'-biphenyl]-3,3',5,5'-tetraol
- Molecular formula
- C12H10O4
- Molecular weight
- 218.21
Names & synonyms
531-02-2Diresorcinol[1,1'-Biphenyl]-3,3',5,5'-tetrolB7CAU2QQ8O(1,1'-Biphenyl)-3,3',5,5'-tetrolEINECS 208-500-2DIRESORCINOL [MI]5,5'-BIRESORCINOLDTXSID00601953,5,3',5'-TETRAHYDROXYDIPHENYL(1,1-BIPHENYL)-3,3,5,5-TETROLRefChem:589157
Show more names
Felbinac Impurity 19Phloroglucinol Impurity 511,1'-biphenyl]-3,3',5,5'-tetraol5-(3,5-dihydroxyphenyl)resorcinol3,3',5,5'-tetrahydroxy-1,1'-biphenyl
DTXCID0041353[1,1'-biphenyl]-3,3',5,5'-tetraol5-(3,5-dihydroxyphenyl)benzene-1,3-diol(1,1'-Biphenyl)-3,3',5,5'-tetraolUNII-B7CAU2QQ8OSCHEMBL337732VZLUGGCFYPMLMI-UHFFFAOYSA-NNS00032654
Database identifiers
- CAS
531-02-2- PubChem CID
- 68268
- DTXSID
DTXSID0060195- UNII
- B7CAU2QQ8O
- EC Number
- 208-500-2
- Nikkaji
- J6.976K
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 80.9 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 189
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Melting point
- 310 ° · 310°
- Boiling point
- 318.88 °C · 318.88°C (rough estimate)
- Density
- 1.2655 · 1.2655 (rough estimate)
- refractive index
- 1.716 · 1.7160 (estimate)
- pka
- 8.78 · 8.78±0.10(Predicted)
- FDA UNII
- 7 CAU2QQ8O · B7CAU2QQ8O
- EPA Substance Registry System
- 1 · [1,1'-Biphenyl]-3,3',5,5'-tetrol (531-02-2)
- TSCA
- TSCA listed
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
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information[1,1'-Biphenyl]-3,3',5,5'-tetrol: INACTIVE
Suppliers11 total
郑州汇聚化工有限公司0371-53399770 18037166334 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
上海柯维化学技术有限公司021-64609169 18901607656 · [email protected]
吉林中科研伸科技有限公司18143011203 · [email protected]
河南伊诺凯新材料有限公司13290191024 13290191024 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
Henan Alfa Chemical Co., Ltd+8618339805032 · [email protected]
成都标样生物科技有限公司028-81700200 13308200041 · [email protected]
河南普赛化工产品有限公司0371-60919097 15378766539 · [email protected]
郑州浩创新材料有限公司19139721821; 19139721821 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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