2,5-Dichlorobenzonitrile - CAS 21663-61-6
Catalog: |
BB017056 |
Product Name: |
2,5-Dichlorobenzonitrile |
CAS: |
21663-61-6 |
Synonyms: |
2,5-dichlorobenzonitrile |
IUPAC Name: | 2,5-dichlorobenzonitrile |
Description: | 2,5-Dichlorobenzonitrile (CAS# 21663-61-6) is a useful research chemical. |
Molecular Weight: | 172.01 |
Molecular Formula: | C7H3Cl2N |
Canonical SMILES: | C1=CC(=C(C=C1Cl)C#N)Cl |
InChI: | InChI=1S/C7H3Cl2N/c8-6-1-2-7(9)5(3-6)4-10/h1-3H |
InChI Key: | LNGWRTKJZCBXGT-UHFFFAOYSA-N |
Boiling Point: | 247.6 °C at 760 mmHg |
Melting Point: | 130-132 °C |
Purity: | 95 % |
Density: | 1.4 g/cm3 |
Appearance: | Crystalline powder |
MDL: | MFCD00019741 |
LogP: | 2.86508 |
GHS Hazard Statement: | H302 (11.36%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, 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-112038497-A | Quantum dot light-emitting device, manufacturing method thereof and quantum dot display device | 20200915 |
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CN-211426423-U | Purity sampling detection device of 2-fluoro-5-chlorobenzonitrile | 20191217 |
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Complexity: | 160 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 170.9642545 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 170.9642545 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 23.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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