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2,5-Bis(bromomethyl)-1,4-bis(octyloxy)benzene - 98%, high purity , CAS No.147274-72-4
Basic Description
Synonyms | 1,4-bis(bromomethyl)-2,5-dioctoxybenzene | 2,5-Bis(bromomethyl)-1,4-bis(octyloxy)benzene, 98% | DTXSID60399028 | 2,5-Bis(bromomethyl)-1,4-bis(octyloxy)benzene | 1,4-BIS(BROMOMETHYL)-2,5-BIS(OCTYLOXY)BENZENE | 1,4-dibromomethyl-2,5-dioctoxybenzene | 2 5-BI |
Specifications & Purity | ≥98% |
Product Description | Description Conducting polymer precursor for synthesis of substituted PPV. |
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Names and Identifiers
IUPAC Name | 1,4-bis(bromomethyl)-2,5-dioctoxybenzene |
INCHI | InChI=1S/C24H40Br2O2/c1-3-5-7-9-11-13-15-27-23-17-22(20-26)24(18-21(23)19-25)28-16-14-12-10-8-6-4-2/h17-18H,3-16,19-20H2,1-2H3 |
InChi Key | SWHDCISENXYFAI-UHFFFAOYSA-N |
Canonical SMILES | CCCCCCCCOC1=CC(=C(C=C1CBr)OCCCCCCCC)CBr |
Isomeric SMILES | CCCCCCCCOC1=CC(=C(C=C1CBr)OCCCCCCCC)CBr |
PubChem CID | 4072360 |
Molecular Weight | 520.38 |
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Certificates(CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Flash Point(°F) | Not applicable |
Flash Point(°C) | Not applicable |
Melt Point(°C) | 88.8-90.5℃ (lit.) |
Molecular Weight | 520.400 g/mol |
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XLogP3 | 9.800 |
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Hydrogen Bond Donor Count | 0 |
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Hydrogen Bond Acceptor Count | 2 |
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Rotatable Bond Count | 18 |
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Exact Mass | 520.137 Da |
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Monoisotopic Mass | 518.14 Da |
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Topological Polar Surface Area | 18.500 Ų |
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Heavy Atom Count | 28 |
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Formal Charge | 0 |
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Complexity | 309.000 |
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Isotope Atom Count | 0 |
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Defined Atom Stereocenter Count | 0 |
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Undefined Atom Stereocenter Count | 0 |
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Defined Bond Stereocenter Count | 0 |
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Undefined Bond Stereocenter Count | 0 |
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The total count of all stereochemical bonds | 0 |
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Covalently-Bonded Unit Count | 1 |
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Safety and Hazards(GHS)
Pictogram(s) | GHS07 |
Signal | Warning |
Hazard Statements | H315:Causes skin irritation H319:Causes serious eye irritation H335:May cause respiratory irritation |
Precautionary Statements | P261:Avoid breathing dust/fume/gas/mist/vapors/spray. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present and easy to do - continue rinsing. P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of water. P321:Specific treatment (see ... on this label). P405:Store locked up. P501:Dispose of contents/container to ... P264:Wash hands [and …] thoroughly after handling. P271:Use only outdoors or in a well-ventilated area. P304+P340:IF INHALED: Remove person to fresh air and keep comfortable for breathing. P403+P233:Store in a well-ventilated place. Keep container tightly closed. P362+P364:Take off contaminated clothing and wash it before reuse. P264+P265:Wash hands [and …] thoroughly after handling. Do not touch eyes. P337+P317:If eye irritation persists: Get medical help. P332+P317:If skin irritation occurs: Get medical help. P319:Get medical help if you feel unwell. |
RIDADR | NONH for all modes of transport |
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