1-Bromo-3-fluoro-5-iodobenzene - CAS 845866-85-5
Catalog: |
BB037252 |
Product Name: |
1-Bromo-3-fluoro-5-iodobenzene |
CAS: |
845866-85-5 |
Synonyms: |
1-bromo-3-fluoro-5-iodobenzene; 1-bromo-3-fluoro-5-iodobenzene |
IUPAC Name: | 1-bromo-3-fluoro-5-iodobenzene |
Description: | 1-Bromo-3-fluoro-5-iodobenzene (CAS# 845866-85-5) is a useful research chemical. |
Molecular Weight: | 300.89 |
Molecular Formula: | C6H3BrFI |
Canonical SMILES: | C1=C(C=C(C=C1Br)I)F |
InChI: | InChI=1S/C6H3BrFI/c7-4-1-5(8)3-6(9)2-4/h1-3H |
InChI Key: | OQUKJSVQMVBUBY-UHFFFAOYSA-N |
Boiling Point: | 242 ℃ at 760 mmHg |
Density: | 2.281 g/cm3 |
Appearance: | Liquid |
MDL: | MFCD06657969 |
LogP: | 3.19280 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2021130303-A1 | Ras inhibitors | 20191104 |
WO-2021091982-A1 | Ras inhibitors | 20191104 |
EP-3658554-A1 | Dihydropyrimidine compounds and uses thereof in medicine | 20170626 |
KR-20200032098-A | Dihydropyrimidine compounds and their use in pharmaceuticals | 20170626 |
US-2020115381-A1 | Dihydropyrimidine compounds and uses thereof in medicine | 20170626 |
Complexity: | 99.1 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 299.84469 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 299.84469 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 0 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.4 |
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