1,7-Dimethylnaphthalene
Basic information
- CAS
575-37-1- Standard SMILES
Cc1ccc2cccc(C)c2c1- InChIKey
SPUWFVKLHHEKGV-UHFFFAOYSA-N- Molecular formula
- C12H12
- Average molar mass
- 156.22 g/mol
- Monoisotopic mass
- 156.09390038
Overview
1,7-dimethylnaphthalene is a dimethylnaphthalene carrying methyl groups at positions 1 and 7.
Names & identifiers
- Preferred name
- 1,7-Dimethylnaphthalene
- IUPAC
- 1,7-dimethylnaphthalene
- English name
- 1,7-Dimethylnaphthalene
- Molecular formula
- C12H12
- Molecular weight
- 156.22
Names & synonyms
1,7-DIMETHYLNAPHTHALENE575-37-1Naphthalene, 1,7-dimethyl-1,7-DMNUNII-TRF323Y1QWTRF323Y1QWEINECS 209-382-5NSC 60773NSC-60773Naphthalene, 3,5-dimethylDTXSID7073197CHEBI:48612
Show more names
Aniline-d21,7-Dimethylnaphthalene,99%1,7-Dimethylnaphthalene in isooctane
RefChem:73689Naphthalene, 1,7 dimethylDTXCID2042224Naphthalene, 1,7-dimethyl-(8CI)Naphthalene, 1,7-dimethyl-(8CI)(9CI)209-382-5SPUWFVKLHHEKGV-UHFFFAOYSA-NCHEMBL373024
Database identifiers
- CAS
575-37-1- PubChem CID
- 11326
- DTXSID
DTXSID7073197- ChEMBL
CHEMBL373024- ChEBI
CHEBI:48612- UNII
- TRF323Y1QW
- EC Number
- 209-382-5
- Nikkaji
- J45.111H
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 150
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Naphthalenes
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
LogP4.19
Vapor Pressure0.0084 [mmHg]
Physical DescriptionColorless liquid; [Alfa Aesar MSDS]
Physicochemical properties
- Melting point
- -12.99 °C · -12.99°C
- Boiling point
- 263 °C · 263 °C(lit.)
- Density
- 1.002 g/mL · 1.002 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.605(lit.)
- Flash point
- 230 °F · >230 °F
- storage temp.
- Refrigerator
- solubility
- Chloroform (Slightly), Methanol (Slightly)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Hazards SummaryMay cause irritation; [Alfa Aesar MSDS] See Naphthalene.
Safety data
- wgk
- 3
- hs_code
- 2902909000
- safety_code
- 23-24/25
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Applications
Uses1,7-Dimethylnaphthalene is found in volatile oil of Phyllostachys violascens, Sinobambusa tootsik, Sasa subglabra and Pleioblastus kongosanensis leaf from different provenance and 1,7-dimethyl-naphthalene showed differential antioxidant activity.
Upstream & downstream products
Upstream raw materials
Downstream products
Additional notes
DefinitionChEBI: A dimethylnaphthalene carrying methyl groups at positions 1 and 7.
Related reactions
1 records
Compound notes
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