Basic information
- CAS
120542-06-5- Standard SMILES
CCOC(=O)Cc1ccc2ccccc2c1[N+](=O)[O-]- InChIKey
PIPCFJYYKGEQLH-UHFFFAOYSA-N- Molecular formula
- C14H13NO4
- Average molar mass
- 259.26 g/mol
- Monoisotopic mass
- 259.0844579
Names & identifiers
- Preferred name
- Ethyl 2-(1-nitronaphthalen-2-YL)acetate
- IUPAC
- ethyl 2-(1-nitronaphthalen-2-yl)acetate
- English name
- ethyl 2-(1-nitronaphthalen-2-yl)acetate
- Molecular formula
- C14H13NO4
- Molecular weight
- 259.26
Names & synonyms
ETHYL 2-(1-NITRONAPHTHALEN-2-YL)ACETATE120542-06-5MFCD11976134AKOS027428912ethyl 2-(1-nitro-2-naphthyl)acetateAS-64162ETHYL2-(1-NITRONAPHTHALEN-2-YL)ACETATEW126732-Naphthaleneacetic acid, 1-nitro-, ethyl esterEthyl 2-(1-Nitronaphthalen-2-Yl)Acetate(WXC04376)
Database identifiers
- CAS
120542-06-5- PubChem CID
- 14942152
- Nikkaji
- J1.739.030I
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 339
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-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
- P261-P305+P351+P338
Chemistry & industry
Suppliers6 total
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [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]
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]
药明览博(武汉)化学科技有限公司022-59987777 13552403979 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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