Basic information
- CAS
4900-63-4- Standard SMILES
COc1ccc([N+](=O)[O-])c2ccccc12- InChIKey
YFJKGPRYPHFGQD-UHFFFAOYSA-N- Molecular formula
- C11H9NO3
- Average molar mass
- 203.19 g/mol
- Monoisotopic mass
- 203.05824315
Names & identifiers
- Preferred name
- Methyl 4-nitronaphthyl ether
- IUPAC
- 1-methoxy-4-nitronaphthalene
- English name
- 1-METHOXY-4-NITRONAPHTHALENE
- Molecular formula
- C11H9NO3
- Molecular weight
- 203.19
Names & synonyms
Naphthalene, 1-methoxy-4-nitro-Methyl 4-nitronaphthyl etherEINECS 225-528-0AI3-26493DTXSID20197663NSC 65626RefChem:816557DTXCID80120154225-528-01-Methoxy-4-nitronaphthalene4900-63-44-methoxy-1-nitronaphthalene
Show more names
methyl4-nitronaphthylether1-Methoxy-4-nitronaphthalinNaphthalene,1-methoxy-4-nitro-1-Methoxy-4-nitronaphthalene 99%1-Methoxy-4-nitronaphthalene,99%
MFCD000039261-Nitro-4-methoxynaphthalene1-methoxy-4-nitro-naphthaleneNCIOpen2_003101GEO-01717MS-20212CS-0061976Z1401082072
Database identifiers
- CAS
4900-63-4- PubChem CID
- 78613
- DTXSID
DTXSID20197663- EC Number
- 225-528-0
- Nikkaji
- J150.112G
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 238
Experimental & physicochemical properties
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Physicochemical properties
- Melting point
- 83 · 83-85 °C (lit.)
- Boiling point
- 341.49 °C · 341.49°C (rough estimate)
- Density
- 1.2621 · 1.2621 (rough estimate)
- refractive index
- 1.495 · 1.4950 (estimate)
- storage temp.
- Sealed in dry,Room Temperature
- Appearance
- Light yellow to yellow Solid
- InChI
- InChI=1S/C11H9NO3/c1-15-11-7-6-10(12(13)14)8-4-2-3-5-9(8)11/h2-7H,1H3
- InChIKey
- YFJKGPRYPHFGQD-UHFFFAOYSA-N
- SMILES
- C1(OC)=C2C(C=CC=C2)=C([N+]([O-])=O)C=C1
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
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]
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.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-37/39
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
Uses1-Methoxy-4-nitronaphthalene is used as a reagent in the synthesis of UMI-77 (U700850); a small molecule inhibitor of Mcl-1 which blocks and attenuates pancreatic cell cancer growth. Also an anticancer agent.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers54 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
河南赢创生物科技有限公司16650615803 · [email protected]
凯曦（武汉）生物科技有限公司18086025538 · [email protected]
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
武汉萘星光电科技有限公司13407122362 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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