Basic information
- Standard SMILES
Cc1c2ccccc2cc2ccccc12- InChIKey
CPGPAVAKSZHMBP-UHFFFAOYSA-N- Molecular formula
- C15H12
- Average molar mass
- 192.25 g/mol
- Monoisotopic mass
- 192.09390038
Names & identifiers
- Preferred name
- 9-Methylanthracene
- IUPAC
- 9-methylanthracene
- English name
- 9-Methylanthracene
- Molecular formula
- C15H12
- Molecular weight
- 192.26
Names & synonyms
9-METHYLANTHRACENE779-02-2Anthracene, 9-methyl-65NK4CIN03DTXSID3061134NSC-400540RefChem:108016DTXCID2048080212-299-7MFCD00001261CCRIS 27409-methyl anthracene
Show more names
9-MethylanthraMethylantracene9-methyl-anthracenRARECHEM AQ BD 0AN1anthracene,9-methyl-9-Methylanthracene>9-Methylanthracene,99%9-Methylanthracene ,98%Trofinetide Impurity 25
9-methyl-anthracene9-Methylanthracene, 98%AKOS015842090CS-W0107029-Methylanthracene, analytical standardM0153F19679Q18467085
Database identifiers
- CAS
779-02-2- PubChem CID
- 13068
- DTXSID
DTXSID3061134- ChEMBL
CHEMBL1797294- UNII
- 65NK4CIN03
- EC Number
- 212-299-7
- Nikkaji
- J3.327H
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
- 198
Experimental & physicochemical properties
PolymersOther Classes -> Polycyclic Aromatic Hydrocarbons
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
LogP4.96
Vapor Pressure0.0000501 [mmHg]
Physical DescriptionYellow crystals; [Sigma-Aldrich MSDS]
Collision Cross Section134.8 Ų [M*]+
Physicochemical properties
- Melting point
- 77 · 77-79 °C (lit.)
- Boiling point
- 196 · 196-197 °C/12 mmHg (lit.)
- Density
- 1.066 g/mL · 1.066 g/mL at 25 °C (lit.)
- refractive index
- 1.6959 · 1.6959
- Flash point
- 196 · 196-197°C/12mm
- storage temp.
- 30 °C · Store below +30°C.
- solubility
- 0.0003 mg/l · 0.0003mg/l
- form
- Crystals or Crystalline Powder
- Specific Gravity
- 1.066 · 1.066
- color
- Yellow to orange
- Appearance
- Yellow crystals
- Water Solubility
- Soluble in water (0,0003 mg/L at 25°C) and toluene. Slightly soluble in benzene.
- BRN
- 1907463 · 1907463
- Henry's Law Constant
- 2.5 · 2.5×10-1 mol/(m3Pa) at 25℃, Duchowicz et al. (2020)
- Stability
- Stable. Combustible. Incompatible with strong oxidizing agents.
- Major Application
- environmental
- InChI
- 1S/C15H12/c1-11-14-8-4-2-6-12(14)10-13-7-3-5-9-15(11)13/h2-10H,1H3
- InChIKey
- CPGPAVAKSZHMBP-UHFFFAOYSA-N
- SMILES
- Cc1c2ccccc2cc3ccccc13
- CAS DataBase Reference
- 779 · 779-02-2(CAS DataBase Reference)
- FDA UNII
- 65 NK4CIN03 · 65NK4CIN03
- EPA Substance Registry System
- 9 · 9-Methylanthracene (779-02-2)
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- Symbol(GHS)
- 5 · GHS05,GHS07,GHS09
- Signal word
- Danger
- Hazard statements
- 302 · H302-H318-H410
- Precautionary statements
- 273 · P273-P280-P301+P312+P330-P305+P351+P338+P310
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xn,N
- Risk Statements
- 22 · 22-41-50/53
- Safety Statements
- 26 · 26-39-60-61
- RIDADR
- 3077 · UN 3077 9/PG 3
- WGK Germany
- 3 · 3
- RTECS
- 700000 · CB0700000
- TSCA
- TSCA listed
- HS Code
- 2902 · 2902 90 00
- HazardClass
- 9 · 9
- PackingGroup
- III
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 1 Aquatic · Aquatic Acute 1Aquatic Chronic 1
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 6.1% (3 of 49) of reports.
Danger
H302 (79.6%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P273, P280, P301+P317, P305+P354+P338, P317, P330, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 49 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Anthracene, 9-methyl-
Anthracene, 9-methyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryAn irritant that may cause serious eye injury; Harmful by ingestion; [Sigma-Aldrich MSDS] See POLYCYCLIC AROMATIC HYDROCARBONS.
Hazard Classes and CategoriesAcute Tox. 4 (79.6%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- CB0700000
- ridadr
- UN 3077 9/PG 3
- hs_code
- 2902 90 00
- risk_code
- 22-41-50/53
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07,GHS09
- hazard_code
- Xn,N
- safety_code
- 26-39-60-61
- hazard_class
- 9
- Storage Class
- 11 - Combustible Solids
- packing_group
- III
- Hazard statements
- H302-H318-H410
- Hazard Classifications
- Aquatic Acute 1Aquatic Chronic 1
- Precautionary statements
- P273-P280-P301+P312+P330-P305+P351+P338+P310
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationAnthracene, 9-methyl-: ACTIVE
Applications
Description9-Methylanthracene is a reagent used to synthesize citalopram and to study the metabolism of Cunninghamella elegans and rat-liver microsomal.
Uses9-Methylanthracene used as a Intermediates for pharmaceutical and chemical research.
Upstream & downstream products
Downstream products
Suppliers50 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
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Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
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Related reactions
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