4-Bromo-2,3-difluoroaniline - CAS 112279-72-8
Catalog: |
BB002923 |
Product Name: |
4-Bromo-2,3-difluoroaniline |
CAS: |
112279-72-8 |
Synonyms: |
4-bromo-2,3-difluoroaniline; 4-bromo-2,3-difluoroaniline |
IUPAC Name: | 4-bromo-2,3-difluoroaniline |
Description: | 4-Bromo-2,3-difluoroaniline (CAS# 112279-72-8) is a useful research chemical. |
Molecular Weight: | 208.00 |
Molecular Formula: | C6H4BrF2N |
Canonical SMILES: | C1=CC(=C(C(=C1N)F)F)Br |
InChI: | InChI=1S/C6H4BrF2N/c7-3-1-2-4(10)6(9)5(3)8/h1-2H,10H2 |
InChI Key: | UEVLRVBHLWKNEN-UHFFFAOYSA-N |
Boiling Point: | 215.1 °C at 760 mmHg |
Density: | 1.788 g/cm3 |
Appearance: | Solid |
Storage: | Keep in dark place, Inert atmosphere, 2-8 °C |
LogP: | 2.89070 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2021315869-A1 | Compounds and methods for csk modulation and indications therefor | 20200402 |
WO-2021202900-A1 | 1,6-naphthyridine compounds and methods for csk modulation and indications therefor | 20200402 |
WO-2021148420-A1 | Novel heterocyclic compounds | 20200122 |
TW-202045504-A | Pyrido-pyrimidinyl compounds and methods of use | 20190218 |
WO-2020172093-A1 | Pyrido-pyrimidinyl compounds and methods of use | 20190218 |
Complexity: | 122 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 206.94952 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 206.94952 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 26 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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