4-(Dimethylamino)-1-naphthoic acid
Basic information
- CAS
78062-03-0- Standard SMILES
CN(C)c1ccc(C(=O)O)c2ccccc12- InChIKey
LZQKNRRVTOJUHQ-UHFFFAOYSA-N- Molecular formula
- C13H13NO2
- Average molar mass
- 215.25 g/mol
- Monoisotopic mass
- 215.09462866
Names & identifiers
- Preferred name
- 4-(Dimethylamino)-1-naphthoic acid
- IUPAC
- 4-(dimethylamino)naphthalene-1-carboxylic acid
- English name
- 4-Dimethylaminonaphthalene-1-carboxylic acid
- Molecular formula
- C13H13NO2
- Molecular weight
- 215.25
Names & synonyms
4-(Dimethylamino)-1-naphthoic acid78062-03-04-(dimethylamino)naphthalene-1-carboxylic acid4-Dimethylaminonaphthalene-1-carboxylic acidMFCD000517974-(dimethylamino)-1-naphthalenecarboxylic acidAKOS MSC-0164SCHEMBL783395RARECHEM AL BE 06804-(dimethylamino)naphthalic acid4-dimethylamino-1-naphthoic acidDTXSID10335037
Show more names
4-DIMETHYLAMINONAPHTHALENE-1-CARBOXYLIC ACID 98%
STR05394AKOS0041153534-(Dimethylamino)-1-naphthoic acid #SB792374-dimethylaminonaphthalenecarboxylic acid4-(dimethylamino)naphthalenecarboxylic acidDB-056280ST50407984
Database identifiers
- CAS
78062-03-0- PubChem CID
- 522695
- DTXSID
DTXSID10335037- EC Number
- 676-860-1
- Nikkaji
- J307.953H
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 265
Physicochemical properties
- Melting point
- 160 °C · 160°C (dec.)
- Boiling point
- 390 ℃ · 390℃
- Density
- 1.236 · 1.236
- Flash point
- 190 ℃ · 190℃
- storage temp.
- 2 · 2-8°C
- BRN
- 2723206 · 2723206
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
- Hazard Codes
- Xn
- Risk Statements
- 36 · 36/37/38-22
- Safety Statements
- 26 · 26-36
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 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Safety data
- risk_code
- 36/37/38-22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 26-36
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Related reactions
8 records
Compound notes
Loading…