2-Ethyl-9,10-dimethoxyanthracene
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Basic information
- CAS
26708-04-3- Standard SMILES
CCc1ccc2c(OC)c3ccccc3c(OC)c2c1- InChIKey
SURWYRGVICLUBJ-UHFFFAOYSA-N- Molecular formula
- C18H18O2
- Average molar mass
- 266.3 g/mol
- Monoisotopic mass
- 266.13067981
Overview
an antihistaminic agent; structure in first source
Names & identifiers
- Preferred name
- 2-Ethyl-9,10-dimethoxyanthracene
- IUPAC
- 2-ethyl-9,10-dimethoxyanthracene
- English name
- 2-ETHYL-9,10-DIMETHOXYANTHRACENE
- Molecular formula
- C18H18O2
- Molecular weight
- 266.33
Names & synonyms
2-Ethyl-9,10-dimethoxyanthracene26708-04-3DTXSID20352952AH4 anthracene cpdRefChem:86930DTXCID60304016Anthracene, 2-ethyl-9,10-dimethoxy-SCHEMBL52087BIDD:GT0469AKOS0032963482-Ethyl-9,10-dimethoxyanthracene, 97%9,10-dimethoxy-2-ethylanthracene
Show more names
LABOTEST-BB LT004532999,10-Dimethoxy-2-ehtylanthracene2-Ethyl-9,10-dimethoxyanthracene 97%9,10-DIMETHOXY-2-ETHYLANTHRACENE 98+%
BB 0262576SCHEMBL29366534SCHEMBL30043704SURWYRGVICLUBJ-UHFFFAOYSA-NMFCD00075578SBB057824ST45021791H66599
Database identifiers
- CAS
26708-04-3- PubChem CID
- 736188
- DTXSID
DTXSID20352952- EC Number
- 607-990-9
- Nikkaji
- J1.124.933G
Properties
Computed structural propertiesFilling in
- XLogP
- 5.2
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 317
Physicochemical properties
- Melting point
- 117 · 117-119 °C (lit.)
- Boiling point
- 435.2 · 435.2±25.0 °C(Predicted)
- Density
- 1.116 · 1.116±0.06 g/cm3(Predicted)
- InChI
- 1S/C18H18O2/c1-4-12-9-10-15-16(11-12)18(20-3)14-8-6-5-7-13(14)17(15)19-2/h5-11H,4H2,1-3H3
- InChIKey
- SURWYRGVICLUBJ-UHFFFAOYSA-N
- SMILES
- CCc1ccc2c(OC)c3ccccc3c(OC)c2c1
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 8 · GHS08,GHS09
- Signal word
- Danger
- Hazard statements
- 350 · H350-H410
- Precautionary statements
- 201 · P201-P273-P308+P313
- PPE
- 95 · Eyeshields, Gloves, type N95 (US)
- Hazard Codes
- N
- Risk Statements
- 50 · 50
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
Danger
H350 (95.1%): May cause cancer [Danger Carcinogenicity]
P203, P273, P280, P318, P391, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesCarc. 1B (95.1%)
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- ridadr
- UN 3077 9 / PGIII
- risk_code
- 50
- Signal word
- Danger
- Symbol(GHS)
- GHS08,GHS09
- hazard_code
- N
- safety_code
- 61
- Storage Class
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard statements
- H350-H410
- Hazard Classifications
- Aquatic Acute 1Aquatic Chronic 1Carc. 1B
- Precautionary statements
- P201-P273-P308+P313
Chemistry & industry
Applications
Uses2-Ethyl-9,10-dimethoxyanthracene may be employed as photosensitizer, to accelerate the photopolymerization. It may be employed as photosensitizer for enhancing the polymerization of benzothiazolium salts.
General Description2-Ethyl-9,10-dimethoxyanthracene is reported to possess antihistaminic activity. Photoinduced electron transfer from the singlet excited state of 2-ethyl-9,10-dimethoxyanthracene to CCl4 has been reported. The photosensitized reductions of 4-cyanobenzylmethylphenyl sulfonium tetrafluoroborate by 2-ethyl-9,10-dimethoxyanthracene excited singlet state is reported to yield phenyl methyl sulfide.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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