Basic information
- CAS
1984-23-2- Standard SMILES
[C-]#[N+]c1ccc([N+](=O)[O-])cc1- InChIKey
WQFPYEBGLBCQOY-UHFFFAOYSA-N- Molecular formula
- C7H4N2O2
- Average molar mass
- 148.12 g/mol
- Monoisotopic mass
- 148.02727738
Names & identifiers
- Preferred name
- 1-Isocyano-4-nitrobenzene
- IUPAC
- 1-isocyano-4-nitrobenzene
- English name
- Benzene, 1-isocyano-4-nitro- (9CI)
- Molecular formula
- C7H4N2O2
- Molecular weight
- 148.11886
Names & synonyms
1-Isocyano-4-nitrobenzene4-Nitrophenyl isocyanideRefChem:433348811-116-31984-23-24-Nitrophenylisocyanidep-Nitrophenyl isocyanideBENZENE, 1-ISOCYANO-4-NITRO-p-Nitrophenyl isonitrileBenzene, 1-isocyano-4-nitro- (9CI)MFCD019373941-isocyano-4-nitro-benzene
Show more names
4-NitrophenylIsocyanide>1-isocyano-4-nitro-benzene
Benzene,1-isocyano-4-nitro-p-nitro-phenyl isonitrile4-NitrophenylIsocyanide>Phenyl isocyanide, p-nitro- (6CI,7CI,8CI)SCHEMBL2273860DTXSID30173579GS3821STK505800
Database identifiers
- CAS
1984-23-2- PubChem CID
- 74802
- DTXSID
DTXSID30173579- EC Number
- 811-116-3
- Nikkaji
- J103.277A
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 50.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 192
Physicochemical properties
- Melting point
- 95 · 95-97 °C
- storage temp.
- -20 °C, · -20°C, stored under nitrogen
- Appearance
- Yellow to orange Solid
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301-H311-H315-H319-H331-H335
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P310-P330-P332+P313-P337+P313-P361-P403+P233-P405-P501
- RTECS
- 3768224 · DA3768224
- HS Code
- 2929900090 · 2929900090
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]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- rtecs
- DA3768224
- hs_code
- 2929900090
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H301-H311-H315-H319-H331-H335
- Precautionary statements
- P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P310-P330-P332+P313-P337+P313-P361-P403+P233-P405-P501
Chemistry & industry
Applications
UsesAgricultural chemical.
Uses4-Nitrophenyl Isocyanide is used in preparation of piperazinedione derivatives for use as cardiac sarcomere inhibitors.
Upstream & downstream products
Downstream products
Suppliers41 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
苏州驰瑞智合生物科技有限公司0512-13626191578 13626191578 · [email protected]
郑州汇聚化工有限公司0371-53399770 18037166334 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
上海海皋科技有限公司021-57646680 18306277365 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
Related reactions
5 records
Compound notes
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