Basic information
- CAS
52988-34-8- Standard SMILES
COc1ccc(-c2ccc(C=O)cc2)cc1- InChIKey
JTTIGLYPLMYHAT-UHFFFAOYSA-N- Molecular formula
- C14H12O2
- Average molar mass
- 212.24 g/mol
- Monoisotopic mass
- 212.08372962
Names & identifiers
- Preferred name
- 4'-Methoxy-(1,1'-biphenyl)-4-carboxaldehyde
- IUPAC
- 4-(4-methoxyphenyl)benzaldehyde
- English name
- 4'-Methoxybiphenyl-4-carbaldehyde
- Molecular formula
- C14H12O2
- Molecular weight
- 212.24
Names & synonyms
4'-methoxy-[1,1'-biphenyl]-4-carboxaldehyde4'-Methoxy-(1,1'-biphenyl)-4-carboxaldehydeRefChem:506162692-469-952988-34-84-(4-Methoxyphenyl)benzaldehyde4'-Methoxy-[1,1'-biphenyl]-4-carbaldehyde4'-methoxybiphenyl-4-carbaldehyde4'-Methoxy-biphenyl-4-carboxaldehyde4'-methoxybiphenyl-4-carboxaldehyde4'-methoxy[1,1'-biphenyl]-4-carbaldehyde4'-Methoxy-biphenyl-4-carbaldehyde
Show more names
AKOS BAR-0060TIMTEC-BB SBB010160ASINEX-REAG BAS 058917924-(4-methoxyphenyl)benzaldehyde 97%
MFCD018625174-(4-methoxy)benzaldehydeDTXSID803627544-methoxybiphenyl-4'-carboxaldehyde4-formyl-4'-methoxy-1,1'-biphenylEN300-265776AMY33276SCHEMBL6351
Database identifiers
- CAS
52988-34-8- PubChem CID
- 1394487
- DTXSID
DTXSID80362754- EC Number
- 692-469-9
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 211
Physicochemical properties
- Melting point
- 98 · 98-100°C
- Flash point
- 110 ° · >110°(230°F)
- storage temp.
- Inert atmosphere,Room Temperature
- form
- solid
- Appearance
- White to off-white Solid
- Sensitive
- Air Sensitive
- InChI
- 1S/C14H12O2/c1-16-14-8-6-13(7-9-14)12-4-2-11(10-15)3-5-12/h2-10H,1H3
- InChIKey
- JTTIGLYPLMYHAT-UHFFFAOYSA-N
- SMILES
- COc1ccc(cc1)-c2ccc(C=O)cc2
- CAS DataBase Reference
- 52988 · 52988-34-8(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338-P280a-P304+P340-P405-P501a
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- wgk
- 3
- hs_code
- 2912490090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- hazard_class
- IRRITANT
- Storage Class
- 13 - Non Combustible Solids
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338-P280a-P304+P340-P405-P501a
Chemistry & industry
Applications
Uses4''-Methoxybiphenyl-4-carboxaldehyde acts as a reagent in the research studies involving the use of aryliden-methyloxazolones as reversible MAGL inhibitors for cancer treatment.
Suppliers40 total
山东普创医药科技有限公司18953403321 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
长沙麓兴生物科技有限公司0731-88827538 15574813303 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
孟成科技（上海）有限公司400-820-6829 · [email protected]
菏泽博纳医药科技有限公司15865805009 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
南京代盟化工有限公司025-66800956 18800000000 · [email protected]
Related reactions
18 records
Compound notes
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