1-Bromo-2-ethyl-4-iodobenzene - CAS 1160573-87-4
Catalog: |
BB072230 |
Product Name: |
1-Bromo-2-ethyl-4-iodobenzene |
CAS: |
1160573-87-4 |
Synonyms: |
1-bromo-2-ethyl-4-iodobenzene; 2-Bromo-5-iodoethylbenzene |
IUPAC Name: | 1-bromo-2-ethyl-4-iodobenzene |
Molecular Weight: | 310.96 |
Molecular Formula: | C8H8BrI |
Canonical SMILES: | CCC1=C(C=CC(=C1)I)Br |
InChI: | InChI=1S/C8H8BrI/c1-2-6-5-7(10)3-4-8(6)9/h3-5H,2H2,1H3 |
InChI Key: | KOAOHJCNSAAUSK-UHFFFAOYSA-N |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | 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 |
Signal Word: | Warning |
Complexity: | 105 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 309.88541 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 0 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 309.88541 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 0Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.1 |
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