Basic information
- CAS
66-98-8- Standard SMILES
O=Cc1ccc(-c2ccc(C=O)cc2)cc1- InChIKey
FEHLIYXNTWAEBQ-UHFFFAOYSA-N- Molecular formula
- C14H10O2
- Average molar mass
- 210.23 g/mol
- Monoisotopic mass
- 210.06807956
Names & identifiers
- Preferred name
- [1,1'-Biphenyl]-4,4'-dicarboxaldehyde
- IUPAC
- 4-(4-formylphenyl)benzaldehyde
- English name
- 4,4'-Biphenyldicarboxaldehyde
- Molecular formula
- C14H10O2
- Molecular weight
- 210.23
Names & synonyms
Show more names
Database identifiers
- CAS
66-98-8- PubChem CID
- 6200
- DTXSID
DTXSID60216206- EC Number
- 692-556-1
- Nikkaji
- J79.021D
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 207
Physicochemical properties
- Melting point
- 148 °C · 148 °C
- Boiling point
- 391.7 · 391.7±35.0 °C(Predicted)
- Density
- 1.18 · 1.180±0.06 g/cm3(Predicted)
- storage temp.
- 2 · Inert atmosphere,2-8°C
- form
- Crystalline Powder
- color
- Yellow
- InChI
- InChI=1S/C14H10O2/c15-9-11-1-5-13(6-2-11)14-7-3-12(10-16)4-8-14/h1-10H
- InChIKey
- FEHLIYXNTWAEBQ-UHFFFAOYSA-N
- SMILES
- C1(C2=CC=C(C=O)C=C2)=CC=C(C=O)C=C1
- CAS DataBase Reference
- 66 · 66-98-8(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-37/39
- RTECS
- 2800200 · DV2800200
- HS Code
- 29122910 · 29122910
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral];H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation];H411 (50%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Safety data
- rtecs
- DV2800200
- hs_code
- 29122910
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 26-37/39
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
Related reactions
Compound notes
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