3-Bromo-4-chlorobenzonitrile - CAS 948549-53-9
Catalog: |
BB041566 |
Product Name: |
3-Bromo-4-chlorobenzonitrile |
CAS: |
948549-53-9 |
Synonyms: |
3-bromo-4-chlorobenzonitrile; 3-bromo-4-chlorobenzonitrile |
IUPAC Name: | 3-bromo-4-chlorobenzonitrile |
Description: | 3-Bromo-4-chlorobenzonitrile (CAS# 948549-53-9) is a useful research chemical. |
Molecular Weight: | 216.46 |
Molecular Formula: | C7H3BrClN |
Canonical SMILES: | C1=CC(=C(C=C1C#N)Br)Cl |
InChI: | InChI=1S/C7H3BrClN/c8-6-3-5(4-10)1-2-7(6)9/h1-3H |
InChI Key: | GTTSCQCUEKBTNZ-UHFFFAOYSA-N |
Boiling Point: | 260.2 °C at 760 mmHg |
Purity: | 97 % |
Density: | 1.74 g/cm3 |
Storage: | Sealed in dry, Room Temperature |
MDL: | MFCD09025661 |
LogP: | 2.97418 |
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 |
WO-2021094209-A1 | Substituted pyrrolo triazine carboxamide derivatives as prostaglandin ep3 receptor antagonists | 20191112 |
WO-2020156453-A1 | Pyrimidinyl group-containing tricyclic compound serving as c-met inhibitor | 20190201 |
CN-113365997-A | Pyrimidine group-containing tricyclic compounds as c-Met inhibitors | 20190201 |
JP-6644951-B2 | Organic electroluminescent device and novel compound | 20171206 |
JP-WO2019111971-A1 | Organic electroluminescence device and novel compound | 20171206 |
Complexity: | 162 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 214.91374 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 214.91374 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 23.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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