Basic information
- CAS
1761-63-3- Standard SMILES
O=Cc1cc(-c2ccccc2)ccc1O- InChIKey
NAUBSKHQFFCEMQ-UHFFFAOYSA-N- Molecular formula
- C13H10O2
- Average molar mass
- 198.22 g/mol
- Monoisotopic mass
- 198.06807956
Names & identifiers
- Preferred name
- 4-Hydroxy-(1,1'-biphenyl)-3-carbaldehyde
- IUPAC
- 2-hydroxy-5-phenylbenzaldehyde
- English name
- 2-Formyl-4-phenylphenol
- Molecular formula
- C13H10O2
- Molecular weight
- 198.22
Names & synonyms
4-Hydroxy-[1,1'-biphenyl]-3-carbaldehyde4-Hydroxy-(1,1'-biphenyl)-3-carbaldehydeRefChem:523665960-325-72-hydroxy-5-phenylbenzaldehyde1761-63-32-Formyl-4-phenylphenol4-Hydroxybiphenyl-3-carbaldehydeMFCD00579079[1,1'-Biphenyl]-3-carboxaldehyde, 4-hydroxy-4-Hydroxy[1,1'-biphenyl]-3-carbaldehyde5-phenylsalicylaldehyde
Show more names
4-Hydroxy-[1,1''-biphenyl]-3-carbaldehyde
3-formyl-4-hydroxybiphenyl5-Phenyl-2-hydroxybenzaldehydeSCHEMBL17111182-hydroxy-5-phenyl-benzaldehydeSCHEMBL11489554SCHEMBL30362773DTXSID10483067NAUBSKHQFFCEMQ-UHFFFAOYSA-N
Database identifiers
- CAS
1761-63-3- PubChem CID
- 12264658
- DTXSID
DTXSID10483067- EC Number
- 960-325-7
- Nikkaji
- J1.482.888E
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 209
Physicochemical properties
- Melting point
- 101 · 101-102 °C
- Boiling point
- 331.1 · 331.1±30.0 °C(Predicted)
- Density
- 1.202 · 1.202±0.06 g/cm3(Predicted)
- pka
- 8.08 · 8.08±0.18(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H312-H315-H319-H332-H335-H412
- Precautionary statements
- 261 · P261-P264-P270-P271-P273-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H312-H315-H319-H332-H335-H412
- Precautionary statements
- P261-P264-P270-P271-P273-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Chemistry & industry
Suppliers8 total
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
郑州阿尔法化工有限公司0371-53765687 18937137882 · [email protected]
南京雅科伦医药科技有限公司025-66096098 3165145969 · [email protected]
武汉万鉴生物科技有限公司13277087647 · [email protected]
北京新研汇医药研发有限公司13969155946 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
10 records
Compound notes
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