4-Bromo-2-formylbenzonitrile - CAS 713141-12-9
Catalog: |
BB034357 |
Product Name: |
4-Bromo-2-formylbenzonitrile |
CAS: |
713141-12-9 |
Synonyms: |
4-bromo-2-formylbenzonitrile; 4-bromo-2-formylbenzonitrile |
IUPAC Name: | 4-bromo-2-formylbenzonitrile |
Description: | 4-Bromo-2-formylbenzonitrile (CAS# 713141-12-9) is a useful research chemical. |
Molecular Weight: | 210.03 |
Molecular Formula: | C8H4BrNO |
Canonical SMILES: | C1=CC(=C(C=C1Br)C=O)C#N |
InChI: | InChI=1S/C8H4BrNO/c9-8-2-1-6(4-10)7(3-8)5-11/h1-3,5H |
InChI Key: | TWBKTVRLNPAITK-UHFFFAOYSA-N |
Appearance: | Yellow powder |
MDL: | MFCD15144645 |
LogP: | 2.13328 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; 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, 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 |
Publication Number | Title | Priority Date |
WO-2021087112-A1 | Condensed bi-heterocycles as inhibiting agents for bruton's tyrosine kinase | 20191030 |
CN-108250127-A | A kind of preparation method of isoindoline ketone compound and its derivative | 20180115 |
CN-108250127-B | Preparation method of isoindolinone compounds and derivatives thereof | 20180115 |
WO-2019051396-A1 | SMALL MOLECULE INHIBITORS OF EBOLA VIRUSES AND LASSA FEVER, AND METHODS OF USE THEREOF | 20170908 |
US-2021163454-A1 | Small molecule inhibitors of ebola and lassa fever viruses and methods of use | 20170908 |
Complexity: | 196 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 208.94763 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 208.94763 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 40.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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