Basic information
- CAS
92-05-7- Standard SMILES
Oc1ccc(-c2ccccc2)cc1O- InChIKey
QDNPCYCBQFHNJC-UHFFFAOYSA-N- Molecular formula
- C12H10O2
- Average molar mass
- 186.21 g/mol
- Monoisotopic mass
- 186.06807956
Names & identifiers
- Preferred name
- 3,4-Biphenyldiol
- IUPAC
- 4-phenylbenzene-1,2-diol
- English name
- 3.4-Biphenyldiol
- Molecular formula
- C12H10O2
- Molecular weight
- 186.21
Names & synonyms
[1,1'-Biphenyl]-3,4-diol3,4-Biphenyldiol92-05-74-PHENYLCATECHOL3,4-Dihydroxybiphenyl4-PhenylpyrocatecholBiphenyl-3,4-diol4-Phenyl-1,2-benzenediol1,2-Benzenediol, 4-phenyl-(1,1'-Biphenyl)-3,4-diolT7L7XJ8RU1NSC 1267
Show more names
Diphenyl-3,4-diol.Biphenyl, 3,4-dihydroxy4-phenylbenzene-1,2-diol4-Phenylpyrocatechol,98%[1,1’-biphenyl]-3,4-diol
NSC-1267EINECS 202-121-64,5-DIHYDROXYBIPHENYLAI3-17381DTXSID0059039PYROCATECHOL, 4-PHENYL-RefChem:485801DTXCID2048745
Database identifiers
- CAS
92-05-7- PubChem CID
- 7075
- DTXSID
DTXSID0059039- ChEMBL
CHEMBL475398- UNII
- T7L7XJ8RU1
- EC Number
- 202-121-6
- Nikkaji
- J134.637G
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 175
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Melting point
- 139.35 °C · 139.35°C
- Boiling point
- 280.69 °C · 280.69°C (rough estimate)
- Density
- 1.1032 · 1.1032 (rough estimate)
- refractive index
- 1.601 · 1.6010 (estimate)
- pka
- 9.576 · 9.576±0.10(predicted)
- InChI
- InChI=1S/C12H10O2/c13-11-7-6-10(8-12(11)14)9-4-2-1-3-5-9/h1-8,13-14H
- InChIKey
- QDNPCYCBQFHNJC-UHFFFAOYSA-N
- SMILES
- C1(C2=CC=CC=C2)=CC=C(O)C(O)=C1
- FDA UNII
- 7 L7XJ8RU1 · T7L7XJ8RU1
- EPA Substance Registry System
- 1 · [1,1'-Biphenyl]-3,4-diol (92-05-7)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P273, P280, P301+P317, P305+P354+P338, P317, P330, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- tsca
- TSCA listed
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS09,GHS05
- Hazard statements
- H302-H411-H318
- Precautionary statements
- P280-P305+P351+P338-P310-P264-P270-P301+P312-P330-P501
Chemistry & industry
Uses & manufacturing
General Manufacturing Information[1,1'-Biphenyl]-3,4-diol: INACTIVE
Suppliers9 total
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
台州川旭医药科技有限公司[email protected] 15165038510 · [email protected]
上海创焰化学科技有限公司021-11111111 11111111111 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
河南拉瓦锡化工产品有限公司0371-63682289 18625781376 · [email protected]
上海相辉医药科技有限公司13611835272 13611835272 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
河南伊诺凯新材料有限公司15090072163 · [email protected]
Related reactions
1 records
Compound notes
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