3-Chloro-4-methylbenzonitrile - CAS 21423-81-4
Catalog: |
BB016832 |
Product Name: |
3-Chloro-4-methylbenzonitrile |
CAS: |
21423-81-4 |
Synonyms: |
3-chloro-4-methylbenzonitrile |
IUPAC Name: | 3-chloro-4-methylbenzonitrile |
Description: | 3-Chloro-4-methylbenzonitrile (CAS# 21423-81-4) is a useful research chemical. |
Molecular Weight: | 151.59 |
Molecular Formula: | C8H6ClN |
Canonical SMILES: | CC1=C(C=C(C=C1)C#N)Cl |
InChI: | InChI=1S/C8H6ClN/c1-6-2-3-7(5-10)4-8(6)9/h2-4H,1H3 |
InChI Key: | INEMHABDFCKBID-UHFFFAOYSA-N |
Boiling Point: | 106 ℃ / 6 mmHg |
Melting Point: | 45-48 ℃ |
Purity: | 95 % |
Density: | 1.19 g/cm3 |
Appearance: | White to light yellow crystal powder |
MDL: | MFCD00001799 |
LogP: | 2.52008 |
GHS Hazard Statement: | H228 (97.44%): Flammable solid [Danger Flammable solids] |
Precautionary Statement: | P210, P240, P241, P280, and P370+P378 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112608320-A | Piperidine compound and preparation method and medical application thereof | 20200116 |
WO-2021143792-A1 | Piperidine compound, preparation method therefor and medical use thereof | 20200116 |
WO-2021094209-A1 | Substituted pyrrolo triazine carboxamide derivatives as prostaglandin ep3 receptor antagonists | 20191112 |
WO-2020191252-A1 | Technologies useful for oligonucleotide preparation | 20190320 |
WO-2020118246-A1 | Oligonucleotide compositions and methods thereof | 20181206 |
PMID | Publication Date | Title | Journal |
22059054 | 20110901 | The 4-(3-chloro-4-methyl-phen-yl)-1,2,3,5-dithia-diazol-3-yl radical | Acta crystallographica. Section E, Structure reports online |
Complexity: | 158 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 151.0188769 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 151.0188769 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 23.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.3 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Nitrogen Compounds
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS