Naphthalene, 1,4,5,8-tetrahydro-2,7-dimethoxy-
Basic information
- CAS
1614-82-0- Standard SMILES
COC1=CCC2=C(C1)CC(OC)=CC2- InChIKey
PWPPYWWWEVISEX-UHFFFAOYSA-N- Molecular formula
- C12H16O2
- Average molar mass
- 192.25 g/mol
- Monoisotopic mass
- 192.11502975
Names & identifiers
- Preferred name
- Naphthalene, 1,4,5,8-tetrahydro-2,7-dimethoxy-
- IUPAC
- 2,7-dimethoxy-1,4,5,8-tetrahydronaphthalene
- English name
- 1,4,5,8-Tetrahydro-2,7-dimethoxynaphthalene
- Molecular formula
- C12H16O2
- Molecular weight
- 192.25
Names & synonyms
1614-82-0Naphthalene, 1,4,5,8-tetrahydro-2,7-dimethoxy-1,4,5,8-TETRAHYDRO-2,7-DIMETHOXYNAPHTHALENEDTXSID40883531RefChem:831820DTXCID8010230572,7-Dimethoxy-1,4,5,8-tetrahydronaphthalene1,4,5,8-tetrahydro-2,7-dimethoxy-NaphthaleneMFCD00269695SCHEMBL6140786PWPPYWWWEVISEX-UHFFFAOYSA-NAKOS006283466
Show more names
,4,5,8-Tetrahydro-2,7-dimethoxynaphthalene2,7-Dimethoxy-1,4,5,8-tetrahydronaphthalene>
SB66983AC-24520AS-66966CS-0313690D90108EN300-7385815F225795F9995-2778
Database identifiers
- CAS
1614-82-0- PubChem CID
- 13950331
- DTXSID
DTXSID40883531- EC Number
- 867-101-7
- Nikkaji
- J2.973.592A
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 291
Physicochemical properties
- Melting point
- 64 to · 64.0 to 68.0 °C
- Boiling point
- 100 °C/0.2mmHg · 100°C/0.2mmHg(lit.)
- Density
- 1.06 · 1.06±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- form
- powder to crystal
- color
- White to Almost white
- InChI
- InChI=1S/C12H16O2/c1-13-11-5-3-9-4-6-12(14-2)8-10(9)7-11/h5-6H,3-4,7-8H2,1-2H3
- InChIKey
- PWPPYWWWEVISEX-UHFFFAOYSA-N
- SMILES
- C1C2=C(CC=C(OC)C2)CC=C1OC
- EPA Substance Registry System
- 1 · Naphthalene, 1,4,5,8-tetrahydro-2,7-dimethoxy- (1614-82-0)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- TSCA
- TSCA listed
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- tsca
- TSCA listed
- hs_code
- 2909309090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationNaphthalene, 1,4,5,8-tetrahydro-2,7-dimethoxy-: ACTIVE
Applications
Uses1,4,5,8-Tetrahydro-2,7-dimethoxynaphthalene is used in organic semiconductors for photoelectric conversion, photoelectric conversion devices, and solar cells.
Upstream & downstream products
Upstream raw materials
Suppliers
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Related reactions
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Compound notes
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