2-Methylanthracene
Basic information
- CAS
26914-18-1- Standard SMILES
Cc1ccc2cc3ccccc3cc2c1- InChIKey
GYMFBYTZOGMSQJ-UHFFFAOYSA-N- Molecular formula
- C15H12
- Average molar mass
- 192.25 g/mol
- Monoisotopic mass
- 192.09390038
Overview
structure given in first source
Names & identifiers
- Preferred name
- 2-Methylanthracene
- IUPAC
- 2-methylanthracene
- English name
- 2-METHYLANTHRACENE
- Molecular formula
- C15H12
- Molecular weight
- 192.26
Names & synonyms
2-METHYLANTHRACENE613-12-76C868JOV4ADTXSID8060616NSC-87376RefChem:475951DTXCID6042995210-329-3Anthracene, 2-methyl-MFCD0000358326914-18-1Anthracene, methyl-
Show more names
7-Methylanthracene6-Methylanthracene3-Methylanthracene2-methyl-anthracen2-Methylanthracene,97%Trofinetide Impurity 42-METHYLANTHRACENE OEKANAL, 100 MG2-Methylanthracene 100mg [613-12-7]
CCRIS 2739EINECS 210-329-3NSC 87376UNII-6C868JOV4AMethylanthracen2-Methylanthracene, 97%NCIOpen2_001192SCHEMBL167213
Database identifiers
- CAS
26914-18-1、613-12-7- PubChem CID
- 11936
- DTXSID
DTXSID8060616- ChEMBL
CHEMBL1797266- UNII
- 6C868JOV4A
- EC Number
- 210-329-3
- Nikkaji
- J55.376J
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 220
Experimental & physicochemical properties
Polymers
Other Classes -> Polycyclic Aromatic Hydrocarbons
Polycyclic aromatic hydrocarbon
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
LogP5.0
Vapor Pressure0.0000501 [mmHg]
Physical DescriptionFaintly yellow powder; [Sigma-Aldrich MSDS]
Collision Cross Section
138.61 Ų [M+H]+ [CCS Type: DT; Method: stepped-field]
135.7 Ų [M*]+
Physicochemical properties
- Melting point
- 204 · 204-206 °C (lit.)
- Boiling point
- 358.25 °C · 358.25°C (estimate)
- Density
- 1.0561 · 1.0561 (estimate)
- refractive index
- 1.688 · 1.6880 (estimate)
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
H400 (90.7%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
P273, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 43 reports by companies from 4 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory InformationAnthracene, 2-methyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazards SummaryMay cause irritation; [Sigma-Aldrich MSDS] See POLYCYCLIC AROMATIC HYDROCARBONS.
Hazard Classes and CategoriesAquatic Acute 1 (90.7%)
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- rtecs
- CB0680000
- ridadr
- UN 3077 9 / PGIII
- Toxicity
- EC50 (48-h) for Daphnia pulex 96.0 μg/L (Smith et al., 1988).
- risk_code
- 41
- Signal word
- Warning
- Symbol(GHS)
- GHS09
- hazard_code
- Xi
- safety_code
- 37/39-26
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Applications
Uses2-Methylanthracene (cas# 613-12-7) is a compound useful in organic synthesis.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers
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Related reactions
5 records
Compound notes
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