Basic information
- CAS
13148-43-1- Standard SMILES
O=Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1- InChIKey
DXUACWQWQDJZMY-UHFFFAOYSA-N- Molecular formula
- C11H7NO4
- Average molar mass
- 217.18 g/mol
- Monoisotopic mass
- 217.0375077
Names & identifiers
- Preferred name
- 5-(3-Nitrophenyl)furfural
- IUPAC
- 5-(3-nitrophenyl)furan-2-carbaldehyde
- English name
- 5-(3-NITROPHENYL)-2-FURALDEHYDE
- Molecular formula
- C11H7NO4
- Molecular weight
- 217.18
Names & synonyms
5-(3-Nitrophenyl)furfuralRefChem:530014620-836-55-(3-nitrophenyl)furan-2-carbaldehyde13148-43-15-(3-Nitrophenyl)-2-furaldehyde2-Furancarboxaldehyde, 5-(3-nitrophenyl)-MFCD000461065-(3-Nitrophenyl)-2-furancarboxaldehyde5-(3-Nitro-phenyl)-furan-2-carbaldehyde2-formyl-5-(3-nitrophenyl)furan2-Furancarboxaldehyde,5-(3-nitrophenyl)-
Show more names
AKOS B019744AKOS BAR-1989ART-CHEM-BB B0197445-(3-Nitrophenyl)furfural,98%5-(3-NITROPHENYL)FURFURAL 97%
5-(m-Nitrophenyl)furfuralASISCHEM N16486AURORA KA-4222MLS000332569SCHEMBL1960867SCHEMBL2323398CHEMBL1414099TIMTEC-BB SBB000566
Database identifiers
- CAS
13148-43-1- PubChem CID
- 612417
- DTXSID
DTXSID30346468- ChEMBL
CHEMBL1414099- EC Number
- 620-836-5
- Nikkaji
- J1.617.584F
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
- Formal charge
- 0
- Complexity
- 276
Experimental & physicochemical properties
Solubility6.3 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Melting point
- 156 · 156-158 °C(lit.)
- CAS DataBase Reference
- 13148 · 13148-43-1(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- WGK Germany
- 3 · 3
- HazardClass
- IRRITANT
- HS Code
- 29321900 · 29321900
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]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 40 reports by companies from 3 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 CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)
Safety data
- wgk
- 3
- hs_code
- 29321900
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319-H335
Chemistry & industry
Suppliers14 total
河北凡博医药科技有限公司15588346797
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
上海湄水化工科技有限公司021-60549325 18616193163
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
成都瑞欧克科技有限公司028-64353063 · [email protected]
武汉峰耀同辉化学制品有限公司027-87466205 15377579727 · [email protected]
上海超岚化工科技中心QQ：65489617 13301690235 · [email protected]
武汉峰耀同辉化学制品有限公司027-87466105 15377573527 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
重庆卡兰医药有限公司[email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
6 records
Compound notes
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