4,8-Bis(octyloxy)benzo[1,2-b:4,5-b']dithiophene

HCID 58280899

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Basic information

CAS: 1098102-94-3
Standard SMILES: CCCCCCCCOc1c2ccsc2c(OCCCCCCCC)c2ccsc12
InChIKey: LWSGUMOETOXOHL-UHFFFAOYSA-N
Molecular formula: C26H38O2S2
Average molar mass: 446.7 g/mol
Monoisotopic mass: 446.2313228

Names & identifiers

Preferred name: 4,8-Bis(octyloxy)benzo[1,2-b:4,5-b']dithiophene
IUPAC: 4,8-dioctoxythieno[2,3-f][1]benzothiole
English name: 4,8-Dioctyloxybenzo[1,2-b:3,4-b]dithiophene
Molecular formula: C26H38O2S2
Molecular weight: 446.70872

Names & synonyms

1098102-94-34,8-Bis(octyloxy)benzo[1,2-b:4,5-b']dithiophene4,8-dioctoxythieno[2,3-f][1]benzothiole4,8-Dioctyloxybenzo[1,2-b4,8-Bis-n-octyloxybenzo[1,2-b:4,5-b']dithiopheneMFCD267934982,8-BIS(OCTYLOXY)-4,10-DITHIATRICYCLO[7.3.0.0(3),?]DODECA-1,3(7),5,8,11-PENTAENE4,8-Dioctyloxybenzo[1,2-b:3,4-b]dithiopheneSCHEMBL1659824DTXSID50729052LWSGUMOETOXOHL-UHFFFAOYSA-NAKOS016012229

Show more names

BDTO8BDT-OCT4,8-Dioctyloxybenzo[1,2-b:3,4-b']dithiophene4,8-Dioctyloxybenzo[1,2-b:4,5-b']dithiophene4,8-Bis-n-octyloxybenzo[1,2-b:4,5-b']dithiophene >4,8-Bis-n-octyloxybenzo[1,2-b:4,5-b']dithiophene

4,8-dioctoxythieno[2,3-f]benzothiopheneAS-58526SY055694B4396CS-03143384,8-Dioctoxybenzo[1,2-b:4,5-b']dithiophene4,8- Dioctoxybenzo[1,2-b:4,5-b']dithiopheneF570496

Database identifiers

CAS: 1098102-94-3
PubChem CID: 58280899
DTXSID: DTXSID50729052
Nikkaji: J2.931.070J

Properties

Computed structural properties

XLogP: 10.7
Topological polar surface area: 74.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 16
Heavy atoms: 30
Formal charge: 0
Complexity: 407

Physicochemical properties

Melting point: 46 to · 46.0 to 50.0 °C
storage temp.: 2 · 2-8°C
form: powder to crystal
color: White to Light yellow to Light orange
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
HS Code: 2934.99 · 2934.99.4400

Safety & regulation

Safety data

hs_code: 2934.99.4400
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H315-H319-H335
Precautionary statements: P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501