4-Bromo-2-chloro-5-fluorotoluene - CAS 93765-83-4
Catalog: |
BB041070 |
Product Name: |
4-Bromo-2-chloro-5-fluorotoluene |
CAS: |
93765-83-4 |
Synonyms: |
1-bromo-5-chloro-2-fluoro-4-methylbenzene; 1-bromo-5-chloro-2-fluoro-4-methylbenzene |
IUPAC Name: | 1-bromo-5-chloro-2-fluoro-4-methylbenzene |
Description: | 4-Bromo-2-chloro-5-fluorotoluene (CAS# 93765-83-4) is a useful research chemical. |
Molecular Weight: | 223.47 |
Molecular Formula: | C7H5BrClF |
Canonical SMILES: | CC1=CC(=C(C=C1Cl)Br)F |
InChI: | InChI=1S/C7H5BrClF/c1-4-2-7(10)5(8)3-6(4)9/h2-3H,1H3 |
InChI Key: | GYFUSHKOOPPODA-UHFFFAOYSA-N |
Boiling Point: | 221.1 °C at 760 mmHg |
Density: | 1.618 g/cm3 |
Storage: | Sealed in dry, Room Temperature |
LogP: | 3.55000 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
EP-3317279-A1 | Triaza-spirodecanones as ddr1 inhibitors | 20150703 |
JP-2018519317-A | Triaza-spirodecanone as a DDR1 inhibitor | 20150703 |
US-10239876-B2 | Triaza-spirodecanones as DDR1 inhibitors | 20150703 |
US-10435407-B2 | Triaza-spirodecanones as DDR1 inhibitors | 20150703 |
US-2018148450-A1 | Triaza-spirodecanones as ddr1 inhibitors | 20150703 |
Complexity: | 120 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 221.92472 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 221.92472 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 0 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.7 |
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