Basic information
- CAS
33656-65-4- Standard SMILES
CCOC(=O)C(=O)c1cccc2ccccc12- InChIKey
YACNOKOTOHNDBU-UHFFFAOYSA-N- Molecular formula
- C14H12O3
- Average molar mass
- 228.24 g/mol
- Monoisotopic mass
- 228.07864424
Names & identifiers
- Preferred name
- Ethyl (naphthalen-1-yl)(oxo)acetate
- IUPAC
- ethyl 2-naphthalen-1-yl-2-oxoacetate
- English name
- Ethyl 2-(1-naphthyl)-2-oxoacetate
- Molecular formula
- C14H12O3
- Molecular weight
- 228.24
Names & synonyms
33656-65-4DTXSID50371373Ethyl (naphthalen-1-yl)(oxo)acetateRefChem:341837DTXCID10322407Ethyl 1-naphthoylformateethyl 2-(naphthalen-1-yl)-2-oxoacetateMFCD01319637ethyl 2-naphthalen-1-yl-2-oxoacetateETHYL 2-(1-NAPHTHYL)-2-OXOACETATE1-Naphthaleneaceticacid, a-oxo-, ethyl esterethyl (naphth-1-yl)(oxo)acetate
Show more names
Ethyl (naphth-1-yl)(oxo)acetate, tech1-Naphthaleneacetic acid, α-oxo-, ethyl esterEthyl (naphth-1-yl)glyoxylate, Ethyl 1-naphthoylformate
Ethyl1-naphthoylformateSCHEMBL697232ethyl alpha-oxo-1-naphthaleneacetateethyl 2-(1-naphthyl)-2-oxo-acetateAKOS009157814PS-7749Ethyl 2-(1-naphthyl)glyoxylate, tech.DB-208880
Database identifiers
- CAS
33656-65-4- PubChem CID
- 2736455
- DTXSID
DTXSID50371373- EC Number
- 106-905-8
- Nikkaji
- J1.182.581H
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 298
Physicochemical properties
- Melting point
- 79 · 79-82 °C
- Boiling point
- 210 · 210-212 °C(Press: 20 Torr)
- Density
- 1.191 · 1.191±0.06 g/cm3(Predicted)
- form
- solid
- InChI
- 1S/C14H12O3/c1-2-17-14(16)13(15)12-9-5-7-10-6-3-4-8-11(10)12/h3-9H,2H2,1H3
- InChIKey
- YACNOKOTOHNDBU-UHFFFAOYSA-N
- SMILES
- CCOC(=O)C(=O)c1cccc2ccccc12
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P301+P312-P261
- WGK Germany
- 3 · WGK 3
- HS Code
- 2918300090 · 2918300090
- Storage Class
- 11 · 11 - Combustible Solids
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
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (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 CategoriesEye Irrit. 2 (100%)
Safety data
- wgk
- WGK 3
- hs_code
- 2918300090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2
- Precautionary statements
- P280-P301+P312-P261
Chemistry & industry
Suppliers9 total
安徽合诺生物科技有限公司0555-2761852
安徽合诺生物科技有限公司18455579438
上海修时生物医药有限公司15002184385 15021598081 15002184385 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 400-867-5858;400-867-5858 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
Nextpeptide Inc+86-0571-81612335 +8613336028439 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
上海锲诺医药科技有限公司021-021-51557188 15901710861 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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