Basic information
- CAS
2976-75-2- Standard SMILES
O=C(O)COc1cccc2ccccc12- InChIKey
GHRYSOFWKRRLMI-UHFFFAOYSA-N- Molecular formula
- C12H10O3
- Average molar mass
- 202.21 g/mol
- Monoisotopic mass
- 202.06299418
Overview
1-naphthyloxyacetic acid is a naphthyloxyacetic acid. It is functionally related to a 1-naphthol.
Names & identifiers
- Preferred name
- Naphthoxyacetic acid
- IUPAC
- 2-naphthalen-1-yloxyacetic acid
- English name
- 1-NAPHTHOXYACETIC ACID
- Molecular formula
- C12H10O3
- Molecular weight
- 202.21
Names & synonyms
2976-75-21-Naphthoxyacetic acid(1-Naphthyloxy)acetic acid1-Naphthyloxyacetic acid2-naphthalen-1-yloxyacetic acid(1-naphthalenyloxy)acetic acidalpha-Naphthoxyacetic acid9QI2464POAAcetic acid, (1-naphthalenyloxy)-NSC-9847CHEBI:44588DTXSID30183911
Show more names
NSC9847NSC 9847SBB004534EU-0033255AKOS BB/0036ARONIS000556MLS000531067SMR000136050Oprea1_372975
1-NOA cpdRefChem:435028DTXCID70106402221-023-4Naphthoxyacetic acid2-(naphthalen-1-yloxy)acetic acid2-(1-naphthyloxy)acetic acidNAPHTHYLOXYACETIC ACID
Database identifiers
- CAS
2976-75-2- PubChem CID
- 76313
- DTXSID
DTXSID30183911- ChEMBL
CHEMBL1234781- ChEBI
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 227
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
LogP2.6
Physicochemical properties
- Melting point
- 193 · 193-198 °C
- Boiling point
- 300.32 °C · 300.32°C (rough estimate)
- Density
- 1.1868 · 1.1868 (rough estimate)
- refractive index
- 1.543 · 1.5430 (estimate)
- storage temp.
- Store at room temperature
- form
- powder to crystal
- color
- White to Almost white
- BRN
- 1912165 · 1912165
- InChI
- 1S/C12H10O3/c13-12(14)8-15-11-7-3-5-9-4-1-2-6-10(9)11/h1-7H,8H2,(H,13,14)
- InChIKey
- GHRYSOFWKRRLMI-UHFFFAOYSA-N
- SMILES
- OC(=O)COc1cccc2ccccc12
- CAS DataBase Reference
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 7 reports by companies from 4 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
- Eyeshields, Gloves, type N95 (US)
- wgk
- WGK 3
- hs_code
- 29163990
- risk_code
- 36/37/38-22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,Xn
- hazard_note
- Harmful/Irritant
- safety_code
- 24/25-36-26
- hazard_class
- IRRITANT
- Storage Class
- 13 - Non Combustible Solids
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Applications
Uses1-Naphthoxyacetic Acid is a derivative of Naphthalene (N345600) and is synthesized from α-naphthol and chloroacetic acid via Williamson synthesis principle.
Uses1-Naphthoxyacetic acid has been used as internal standard in quantitative determination of sulphonamides in meat by capillary electrophoresis with solid-phase extraction method.
General Description1-Naphthoxyacetic acid is a specifc inhibitor of auxin-influx.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers73 total
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]
Related reactions
15 records
Compound notes
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