Basic information
- CAS
2700-23-4- Standard SMILES
N#CC(C#N)=Cc1ccc([N+](=O)[O-])cc1- InChIKey
BDTIGNGBIBFXSE-UHFFFAOYSA-N- Molecular formula
- C10H5N3O2
- Average molar mass
- 199.17 g/mol
- Monoisotopic mass
- 199.03817641
Overview
belongs to the tyrphostin family, reduced toxicity induced by doxorubicin and cisplatin without impairing their antitumor efficacy; structure in first source
Names & identifiers
- Preferred name
- 4-Nitrobenzylidene malononitrile
- IUPAC
- 2-[(4-nitrophenyl)methylidene]propanedinitrile
- English name
- 1,1-Dicyano-2-(-p-nitrophenyl)-ethene
- Molecular formula
- C10H5N3O2
- Molecular weight
- 199.17
Names & synonyms
AG-1714RefChem:9127184-nitrobenzylidene malononitrile2700-23-42-(4-Nitrobenzylidene)malononitrile4-Nitrobenzylidenemalononitrile2-[(4-nitrophenyl)methylidene]propanedinitrile2-[(4-nitrophenyl)methylene]malononitrileMFCD00159003Propanedinitrile, [(4-nitrophenyl)methylene]-1,1-DICYANO-2-(-P-NITROPHENYL)-ETHENEDicyano-p-nitrostyrene
Show more names
AKOS USSH-4110221TYRPHOSTIN AG 1714RARECHEM AL BX 01932-(4-Nitrophenyl)ethene-1,1-dicarbonitrile
2-(4-(Hydroxy(oxido)amino)benzylidene)malononitrile(4-nitrobenzylidene)malononitrileNSC984472-(4-Nitrobenzylidene)propanedinitrileNSC-637341V37C8V9Z5Xag 1714NSC-98447
Database identifiers
- CAS
2700-23-4- PubChem CID
- 2041
- DTXSID
DTXSID70181491
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 93.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 350
Physicochemical properties
- Melting point
- 149 · 149-151°
- storage temp.
- Store at room temperature
- Appearance
- Light yellow to yellow Solid
- FDA UNII
- 37 C8V9Z5X · V37C8V9Z5X
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301-H332-H312
- Precautionary statements
- 261 · P261-P271-P304+P340-P312-P264-P270-P301+P310-P321-P330-P405-P501-P280-P302+P352-P312-P322-P363-P501
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_class
- IRRITANT
- Hazard statements
- H301-H332-H312
- Precautionary statements
- P261-P271-P304+P340-P312-P264-P270-P301+P310-P321-P330-P405-P501-P280-P302+P352-P312-P322-P363-P501
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers21 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
山东李比希生物医药科技有限公司17866677155 · [email protected]
上海楷树化学科技有限公司021-51987688-803 18916626396 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
天津康利欣科技有限公司18622939839 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
上海麦克林生化科技股份有限公司50706066 15221275939 · [email protected]
烟台盛凯伦化学科技有限公司13356901049 · [email protected]
安徽凯泽合联医药科技有限公司18130062233 · [email protected]
上海康恩博医药科技有限公司（科小研试剂）
Related reactions
2 records
Compound notes
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