[1,1'-Biphenyl]-4,4'-dicarboxaldehyde

HCID 6200

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

66-98-84,4'-BIPHENYLDICARBOXALDEHYDE[1,1'-Biphenyl]-4,4'-dicarboxaldehydep,p'-Diformylbiphenyl(1,1'-Biphenyl)-4,4'-dicarboxaldehydeBRN 22548074,4'-diformyl-1,1'-biphenylDTXSID602162064-07-00-02511 (Beilstein Handbook Reference)RefChem:68059DTXCID20138697FEHLIYXNTWAEBQ-UHFFFAOYSA-N
Show more names
4,4'-BiphenyldicarbaldehydeJACS-66-98-84,4'-BISBENZALDEHYDE4,4'-DIPHENYL DIALDEHYDEBiphenyl-4,4'-biscarbaldehyde
[1,1'-biphenyl]-4,4'-dicarbaldehyde4-(4-formylphenyl)benzaldehydebiphenyl-4,4'-dicarbaldehyde4,4'-DiformylbiphenylMFCD000167144,4-Biphenyldicarboxaldehyde4,4'-BiphenyldicarboxyaldehydeBifonazole Impurity 36

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

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

Safety & regulation

GHS classification

GHS Classification · 5 items

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

Hazard Classes and CategoriesAcute Tox. 4 (50%);Skin Irrit. 2 (50%);Eye Irrit. 2 (50%);STOT SE 3 (50%);Aquatic Chronic 2 (50%)

Safety data

rtecs
DV2800200
hs_code
29122910
risk_code
36/37/38
Signal word
Warning
Symbol(GHS)
GHS07
safety_code
26-37/39

Chemistry & industry

Suppliers100 total

上海利卡斯实业有限公司19821976800 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
阿诺西(上海)生物技术有限公司400-1107768 15058188853 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
南京予善化工有限公司025-025-85281586 +86-18105181009

Related reactions

5 records

Compound notes

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