2-Bromo-5-chlorobenzonitrile - CAS 57381-37-0
Catalog: |
BB029677 |
Product Name: |
2-Bromo-5-chlorobenzonitrile |
CAS: |
57381-37-0 |
Synonyms: |
2-bromo-5-chlorobenzonitrile; 2-bromo-5-chlorobenzonitrile |
IUPAC Name: | 2-bromo-5-chlorobenzonitrile |
Description: | 2-Bromo-5-chlorobenzonitrile (CAS# 57381-37-0) is a useful research chemical. |
Molecular Weight: | 216.46 |
Molecular Formula: | C7H3BrClN |
Canonical SMILES: | C1=CC(=C(C=C1Cl)C#N)Br |
InChI: | InChI=1S/C7H3BrClN/c8-7-2-1-6(9)3-5(7)4-10/h1-3H |
InChI Key: | CTSHRMBLMKPDAG-UHFFFAOYSA-N |
Boiling Point: | 271.6 ℃ at 760 mmHg |
Melting Point: | 138.8-139.2 ℃ |
Purity: | 95 % |
Density: | 1.74 g/cm3 |
MDL: | MFCD08445660 |
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 |
CN-113512047-A | Compound and application thereof | 20200410 |
WO-2021126693-A1 | Gem-disubstituted piperidine melanocortin subtype-2 receptor (mc2r) antagonists and uses thereof | 20191218 |
WO-2020212581-A1 | N-acyl-{4-[(4-aryl-phenyl)sulfonylmethyl]piperidine} compounds and their therapeutic use | 20190418 |
WO-2020035560-A1 | 1-methyl-4-[(4-phenylphenyl)sulfonylmethyl]cyclohexyanol and 1-methyl-4-[[4-(2-pyridyl)phenyl]sulfonylmethyl]cyclohexanol compounds and their therapeutic use | 20180815 |
CN-112805270-A | 1-methyl-4- [ (4-phenylphenyl) sulfonylmethyl ] cyclohexanol and 1-methyl-4- [ [4- (2-pyridinyl) phenyl ] sulfonylmethyl ] cyclohexanol compounds and therapeutic uses thereof | 20180815 |
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: | 3 |
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