Basic information
- CAS
103987-83-3- Standard SMILES
O=C(O)c1ccc2ccccc2c1[N+](=O)[O-]- InChIKey
RMWJWWYYJRAOMD-UHFFFAOYSA-N- Molecular formula
- C11H7NO4
- Average molar mass
- 217.18 g/mol
- Monoisotopic mass
- 217.0375077
Names & identifiers
- Preferred name
- 1-Nitro-2-naphthoic acid
- IUPAC
- 1-nitronaphthalene-2-carboxylic acid
- English name
- 1-Nitronaphthalene-2-carboxylic acid
- Molecular formula
- C11H7NO4
- Molecular weight
- 217.18
Names & synonyms
1-Nitro-2-naphthoic acid103987-83-31-Nitronaphthalene-2-carboxylic acidMFCD062033351-Nitro-2-naphtoic acid2-Naphthoic acid, 1-nitro-1-Nitro-2-naphthoicacid2-Naphthalenecarboxylic acid, 1-nitro-1-Nitro-2-naphthoic acid #SCHEMBL1287816DTXSID50341738RMWJWWYYJRAOMD-UHFFFAOYSA-N
Show more names
DEA98783AKOS016009598AS-62787SY126818DB-363719CS-0035684EN300-142467W11771
Database identifiers
- CAS
103987-83-3- PubChem CID
- 575415
- DTXSID
DTXSID50341738
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 83.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 299
Physicochemical properties
- Melting point
- 246 °C · 246 °C
- Boiling point
- 398.3 · 398.3±30.0 °C(Predicted)
- Density
- 1.468 · 1.468±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 2.4 · 2.40±0.30(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers15 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
凯曦（武汉）生物科技有限公司18086025538 · [email protected]
武汉萘星光电科技有限公司13407122362 · [email protected]
上海昂斯化学科技有限公司13917628136 15900795984 · [email protected]
湖北扬信医药科技有限公司15347293736 · [email protected]
北京建强伟业科技有限公司（FUSION弗珍试剂品牌）0531-88924771 15614660963 · [email protected]
上海德轩医药科技有限公司[email protected] · [email protected]
苏州美石生物科技有限公司1173954148q · [email protected]
上海平果医药科技有限公司021-20432229 · [email protected]
成都信立诺医药科技有限公司+86-0838-2319818 +86-15982001943 · [email protected]
药明览博(武汉)化学科技有限公司022-59987777 13552403979 · [email protected]
江苏艾康生物医药研发有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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