5-(4-Nitrophenyl)-2-furaldehyde

HCID 81567CAS 7147-77-5
Substructure searchFind similar structures

Basic information

Standard SMILES
O=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1
InChIKey
RTSOJVJDKNKNFU-UHFFFAOYSA-N
Molecular formula
C11H7NO4
Average molar mass
217.18 g/mol
Monoisotopic mass
217.0375077

Names & identifiers

Preferred name
5-(4-Nitrophenyl)-2-furaldehyde
IUPAC
5-(4-nitrophenyl)furan-2-carbaldehyde
English name
5-(4-Nitrophenyl)-2-furaldehyde
Molecular formula
C11H7NO4
Molecular weight
217.18

Names & synonyms

7147-77-55-(4-Nitrophenyl)-2-furaldehyde5-(4-Nitrophenyl)furfural5-(4-Nitrophenyl)-2-furancarboxaldehyde2-Furancarboxaldehyde, 5-(4-nitrophenyl)-5-(p-Nitrophenyl)furfuralEINECS 230-459-4NSC-31431DO5AR91I76UNII-DO5AR91I765-(4-Nitrophenyl)furfuraldehyde5-(p-Nitrophenyl)-2-furaldehyde
Show more names
AKOS BB-8346AKOS B019718TOSLAB 719457AURORA KA-4231ASISCHEM N164815-(4-Nitrophenyl)-TIMTEC-BB SBB000565ART-CHEM-BB B019718Dantrolene USP RC C
DTXSID702216842-Furaldehyde, 5-(p-nitrophenyl)-NSC 314315-(p-Nitrophenyl)-2-furancarboxaldehydeRefChem:101713DTXCID00144175230-459-4RTSOJVJDKNKNFU-UHFFFAOYSA-N

Database identifiers

CAS
7147-77-5
PubChem CID
81567
DTXSID
DTXSID70221684
UNII
DO5AR91I76
EC Number
230-459-4
Nikkaji
J227.397G

Properties

Computed structural properties

XLogP
2.3
Topological polar surface area
76 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
2
Heavy atoms
16

Physicochemical properties

Melting point
204 · 204-206 °C(lit.)
Boiling point
406.8 · 406.8±35.0 °C(Predicted)
Density
1.348 · 1.348±0.06 g/cm3(Predicted)
storage temp.
Keep in dark place,Sealed in dry,Room Temperature
solubility
DMSO (Slightly, Heated), Ethyl Acetate (Slightly, Heated)
form
Solid

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (97.6%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 42 reports by companies from 5 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 (97.6%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (97.6%)

Safety data

wgk
3
hs_code
29329990
risk_code
22-36/37/38
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xn,Xi

Chemistry & industry

Applications

UsesA furfural nitrophenyl derivative as antibacterial and fungistatic agent.

Upstream & downstream products

Suppliers50 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]

Related reactions

9 records
New reaction record

Linked notes

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