5-Bromo-2,4-difluorotoluene - CAS 159277-47-1
Catalog: |
BB011514 |
Product Name: |
5-Bromo-2,4-difluorotoluene |
CAS: |
159277-47-1 |
Synonyms: |
1-bromo-2,4-difluoro-5-methylbenzene; 1-bromo-2,4-difluoro-5-methylbenzene |
IUPAC Name: | 1-bromo-2,4-difluoro-5-methylbenzene |
Description: | 5-Bromo-2,4-difluorotoluene (CAS# 159277-47-1) is a useful research chemical. |
Molecular Weight: | 207.02 |
Molecular Formula: | C7H5BrF2 |
Canonical SMILES: | CC1=CC(=C(C=C1F)F)Br |
InChI: | InChI=1S/C7H5BrF2/c1-4-2-5(8)7(10)3-6(4)9/h2-3H,1H3 |
InChI Key: | WOCZKGUFVNUBEC-UHFFFAOYSA-N |
Appearance: | Liquid |
MDL: | MFCD15144620 |
LogP: | 3.03570 |
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 |
WO-2021005586-A1 | Tricyclic akr1c3 dependent kars inhibitors | 20190801 |
US-2020148634-A1 | Acly inhibitors and uses thereof | 20181109 |
WO-2020097408-A1 | Acly inhibitors and uses thereof | 20181109 |
US-2020172543-A1 | Condensed lactam derivative | 20180723 |
WO-2020022237-A1 | Fused ring lactam derivatives | 20180723 |
Complexity: | 118 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 205.95427 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 205.95427 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 0 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.2 |
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