(1,1'-Biphenyl)-2,2'-diol
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Basic information
- CAS
1806-29-7- Standard SMILES
Oc1ccccc1-c1ccccc1O- InChIKey
IMHDGJOMLMDPJN-UHFFFAOYSA-N- Molecular formula
- C12H10O2
- Average molar mass
- 186.21 g/mol
- Monoisotopic mass
- 186.06807956
Overview
Biphenyl-2,2'-diol is a member of the class of hydroxybiphenyls carrying hydroxy groups at positions 2 and 2'.
Names & identifiers
- Preferred name
- (1,1'-Biphenyl)-2,2'-diol
- IUPAC
- 2-(2-hydroxyphenyl)phenol
- English name
- 2,2'-Biphenol
- Molecular formula
- C12H10O2
- Molecular weight
- 186.21
Names & synonyms
1806-29-72,2'-BIPHENOL[1,1'-Biphenyl]-2,2'-diolBiphenyl-2,2'-diolo,o'-DiphenolO,O'-Biphenolo-Dihydroxydiphenylo,o'-Dihydroxybiphenyl2,2'-Dihydroxydiphenyl(1,1'-Biphenyl)-2,2'-diol2,2'-Dihydroxy-1,1'-biphenylPM2R53I3C9
Show more names
2 BiphenolOrthodiphenol2,2'-DIPHENOLO,O'-Diphenole
DTXSID6051809CHEBI:28970RefChem:440212DTXCID6030364217-303-02,2'-Dihydroxybiphenyl2,2'-Biphenyldiol2-(2-hydroxyphenyl)phenol
Database identifiers
- CAS
1806-29-7- PubChem CID
- 15731
- DTXSID
DTXSID6051809- ChEMBL
CHEMBL183874- ChEBI
CHEBI:28970- UNII
- PM2R53I3C9
- EC Number
- 217-303-0
- Nikkaji
- J7.779H
Properties
Computed structural propertiesFilling in
- XLogP
- 3
- 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
- 161
Experimental & physicochemical properties
PolymersOther Classes -> Alcohols and Polyols, Other
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Endocrine DisruptorsPotential endocrine disrupting compound
Vapor Pressure0.00000079 [mmHg]
Physical DescriptionOff-white crystals; [Alfa Aesar MSDS]
Physicochemical properties
- Melting point
- 108 · 108-110 °C
- Boiling point
- 315 °C · 315 °C(lit.)
- Density
- 0.83 · 0.83
- refractive index
- 1.6086 · 1.6086 (estimate)
- Flash point
- 154 °C · 154 °C
- storage temp.
- 30 °C · Store below +30°C.
- form
- Powder
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
This chemical does not meet GHS hazard criteria for 3.8% (2 of 52) of reports.
Danger
H302 (21.2%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 52 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Status: Active Update: 01-04-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/32300
[1,1'-Biphenyl]-2,2'-diol: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryIntraperitoneal LD50 (mouse) = 150 mg/kg; [RTECS] A skin, mucous membrane, and severe eye irritant; Toxic by ingestion; [Alfa Aesar MSDS] See Biphenyl. See Phenol.
Hazard Classes and CategoriesAcute Tox. 4 (21.2%)
Safety data
- F
- 8-9-23
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- DV4200000
- hs_code
- 29029090
- Toxicity
- oms-hmn:lym 5 mmol/L CNREA8 45,2471,85
Chemistry & industry
Uses & manufacturing
General Manufacturing Information[1,1'-Biphenyl]-2,2'-diol: ACTIVE
Applications
Uses2,2'-Dihydroxybiphenyl, is an important raw material and intermediate used in organic Synthesis, pharmaceuticals, agrochemicals and dyestuff.
Upstream & downstream products
Upstream raw materials
Downstream products
Additional notes
DefinitionChEBI: A member of the class of hydroxybiphenyls carrying hydroxy groups at positions 2 and 2'.
Related reactions
24 records
Compound notes
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