Basic information
- Standard SMILES
O=Cc1cc2ccccc2cc1C=O- InChIKey
ZIPLKLQPLOWLTM-UHFFFAOYSA-N- Molecular formula
- C12H8O2
- Average molar mass
- 184.19 g/mol
- Monoisotopic mass
- 184.0524295
Overview
used in colorimetric determination of cholesterol; RN from CA Form Index Vol 90; N1 same as NM
Names & identifiers
- Preferred name
- 2,3-Naphthalenedicarboxaldehyde
- IUPAC
- naphthalene-2,3-dicarbaldehyde
- English name
- Naphthalene-2,3-dicarboxaldehyde
- Molecular formula
- C12H8O2
- Molecular weight
- 184.19
Names & synonyms
Show more names
Database identifiers
- CAS
7149-49-7- PubChem CID
- 96400
- DTXSID
DTXSID20221710- UNII
- Z676031J38
- EC Number
- 634-732-2
- Nikkaji
- J207.996H
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 200
Experimental & physicochemical properties
Physicochemical properties
- Melting point
- 131 · 131-133 °C(lit.)
- Boiling point
- 380 · 380.0±25.0 °C(Predicted)
- Density
- 1.254 · 1.254±0.06 g/cm3(Predicted)
- storage temp.
- Inert atmosphere,Room Temperature
- solubility
- Chloroform (Slightly), Ethyl Acetate (Slightly)
- form
- Crystalline Powder
- color
- White to pale yellow
- Appearance
- Yellow solid
- BRN
- 2207267 · 2207267
- InChI
- InChI=1S/C12H8O2/c13-7-11-5-9-3-1-2-4-10(9)6-12(11)8-14/h1-8H
- InChIKey
- ZIPLKLQPLOWLTM-UHFFFAOYSA-N
- SMILES
- C1=C2C(C=CC=C2)=CC(C=O)=C1C=O
- CAS DataBase Reference
- 7149 · 7149-49-7(CAS DataBase Reference)
- FDA UNII
- 676031 J38 · Z676031J38
- UNSPSC Code
- 12352108 · 12352108
- NACRES
- 32 · NA.32
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26
- WGK Germany
- 3 · 3
- F
- 3 · 3-10-23
- HS Code
- 29122990 · 29122990
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3
Safety & regulation
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 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Safety data
- F
- 3-10-23
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- hs_code
- 29122990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26
- 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-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Substances used for the detection, identification, analysis, etc. of chemical, biological, or pathologic processes or conditions. Indicators are substances that change in physical appearance, e.g., color, at or approaching the endpoint of a chemical titration, e.g., on the passage between acidity and alkalinity. Reagents are substances used for the detection or determination of another substance by chemical or microscopical means, especially analysis. Types of reagents are precipitants, solvents, oxidizers, reducers, fluxes, and colorimetric reagents. (From Grant & Hackh's Chemical Dictionary, 5th ed, p301, p499)
Applications
DescriptionNaphthalene-2,3-dicarboxaldehyde is a fluorogenic derivatizing probe for amines.
UsesA useful reagent for the derivatization of primary amines, amino acids and small peptides
UsesNaphthalene-2,3-dicarboxaldehyde is a fluorogenic derivatizing agent for amines.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers50 total
Related reactions
Linked notes
Loading…