2,5-Dibromo-3-methylthiophene - CAS 13191-36-1
Catalog: |
BB007510 |
Product Name: |
2,5-Dibromo-3-methylthiophene |
CAS: |
13191-36-1 |
Synonyms: |
2,5-dibromo-3-methylthiophene |
IUPAC Name: | 2,5-dibromo-3-methylthiophene |
Description: | 2,5-Dibromo-3-methylthiophene (CAS# 13191-36-1) is a building block used in chemical synthesis of various compounds. |
Molecular Weight: | 255.96 |
Molecular Formula: | C5H4Br2S |
Canonical SMILES: | CC1=C(SC(=C1)Br)Br |
InChI: | InChI=1S/C5H4Br2S/c1-3-2-4(6)8-5(3)7/h2H,1H3 |
InChI Key: | IHFXZROPBCBLLG-UHFFFAOYSA-N |
Boiling Point: | 230.2 °C at 760 mmHg |
Purity: | 98 % |
Density: | 2.006 g/cm3 |
Storage: | Keep in dark place, Inert atmosphere, 2-8 °C |
MDL: | MFCD00015470 |
LogP: | 3.58150 |
GHS Hazard Statement: | H302 (88.64%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P280, P301+P312, P302+P352, P305+P351+P338, P310, P321, P330, P332+P313, P337+P313, P362, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
US-2019187117-A1 | Facile methods to detect toxin in seafood | 20171219 |
US-10890573-B2 | Facile methods to detect toxin in seafood | 20171219 |
US-2020027666-A1 | Bichromic bipodal triphenylamine-based dyes with high photo-electron conversion at low light intensities | 20171102 |
CN-107021950-A | A kind of preparation method of the methylthiophene of 2,5 dibromo 3 | 20170503 |
CN-107021950-B | A kind of preparation method of the bromo- 3 methyl thiophene of 2,5- bis- | 20170503 |
Complexity: | 86.5 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 255.83800 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 253.84005 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 28.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4 |
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