Basic information
- CAS
885-82-5- Standard SMILES
O=[N+]([O-])c1cc(-c2ccccc2)ccc1O- InChIKey
JDDNJJBXFOLPKX-UHFFFAOYSA-N- Molecular formula
- C12H9NO3
- Average molar mass
- 215.2 g/mol
- Monoisotopic mass
- 215.05824315
Names & identifiers
- Preferred name
- 3-Nitro(1,1'-biphenyl)-4-ol
- IUPAC
- 2-nitro-4-phenylphenol
- English name
- 4-Hydroxy-3-nitrobiphenyl
- Molecular formula
- C12H9NO3
- Molecular weight
- 215.2
Names & synonyms
4-Hydroxy-3-nitrobiphenyl885-82-53-Nitro(1,1'-biphenyl)-4-olCCRIS 57694-PHENYL-2-NITROPHENOLARF4GZ3MF33-nitro-4-hydroxybiphenylEINECS 212-946-3NSC 958103-Nitro[1,1'-biphenyl]-4-olNSC-958103-NITRO-4-BIPHENYLOL
Show more names
Nitrophenylphenol3-NITROBIPHENYL-4-OL4-HYDROXY-3-NITROBIP2-NITRO-4-PHENYLPHENOL4-HYDROXY-3-NITRODIPHENYL[1,1'-Biphenyl]-4-ol, 3-nitro-
2-NITRO-P-PHENYLPHENOLDTXSID30237084EC 212-946-3RefChem:94994DTXCID30159575212-946-3JDDNJJBXFOLPKX-UHFFFAOYSA-N3-Nitro-[1,1'-biphenyl]-4-ol
Database identifiers
- CAS
885-82-5- PubChem CID
- 13447
- DTXSID
DTXSID30237084- UNII
- ARF4GZ3MF3
- EC Number
- 212-946-3
- Nikkaji
- J195.184J
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 66.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 245
Experimental & physicochemical properties
LogP3.71
Physicochemical properties
- Melting point
- 69 · 69-70°C
- Boiling point
- 338.5 · 338.5±30.0 °C(Predicted)
- Density
- 1.304 · 1.304±0.06 g/cm3(Predicted)
- Water Solubility
- Insoluble in water
- form
- powder to crystal
- pka
- 6.97 · 6.97±0.14(Predicted)
- color
- Light yellow to Brown
- BRN
- 2331623 · 2331623
- CAS DataBase Reference
- 885 · 885-82-5(CAS DataBase Reference)
- FDA UNII
- 4 GZ3MF3 · ARF4GZ3MF3
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
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 (88.9%): 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 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationREACH registered substance: 3-nitro[1,1'-biphenyl]-4-ol (EC: 212-946-3)
Hazard Classes and CategoriesAcute Tox. 4 (88.9%)
Safety data
- hs_code
- 2908.99.9000
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 26-36
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319-H335
- REACH Registrations
- Active
- Precautionary statements
- P280g-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers34 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Related reactions
3 records
Compound notes
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