1-Naphthoic acid, 8-chloro-
Basic information
- CAS
4537-00-2- Standard SMILES
O=C(O)c1cccc2cccc(Cl)c12- InChIKey
LNELFKSVWJYNRK-UHFFFAOYSA-N- Molecular formula
- C11H7ClO2
- Average molar mass
- 206.62 g/mol
- Monoisotopic mass
- 206.0134572
Names & identifiers
- Preferred name
- 1-Naphthoic acid, 8-chloro-
- IUPAC
- 8-chloronaphthalene-1-carboxylic acid
- English name
- 8-chloronaphthalene-1-carboxylic acid
- Molecular formula
- C11H7ClO2
- Molecular weight
- 206.63
Names & synonyms
8-Chloro-1-naphthoic acid4537-00-21-Naphthoic acid, 8-chloro-DTXSID70196489RefChem:232362DTXCID301189808-chloronaphthalene-1-carboxylic acidMFCD184113258-chloro-1-naphthalenecarboxylic acid1-Naphthalenecarboxylic acid, 8-chloro-SCHEMBL5664709EAA53700
Show more names
AC9611AS-84390SY262192DB-429216CS-0091879EN300-209401F611085
Database identifiers
- CAS
4537-00-2- PubChem CID
- 78295
- DTXSID
DTXSID70196489- Nikkaji
- J1.421.831I
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 229
Experimental & physicochemical properties
SpringerMaterials PropertiesCrystal structure
Physicochemical properties
- Melting point
- 171.5 °C · 171.5°C
- Boiling point
- 296.74 °C · 296.74°C (rough estimate)
- Density
- 1.2423 · 1.2423 (rough estimate)
- refractive index
- 1.55 · 1.5500 (estimate)
- storage temp.
- Store at room temperature
- pka
- 2.02 · 2.02±0.10(Predicted)
- Appearance
- Off-white to light yellow Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-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
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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