3-Chlorobenzonitrile - CAS 766-84-7
Catalog: |
BB035671 |
Product Name: |
3-Chlorobenzonitrile |
CAS: |
766-84-7 |
Synonyms: |
3-chlorobenzonitrile |
IUPAC Name: | 3-chlorobenzonitrile |
Description: | 3-Chlorobenzonitrile (CAS# 766-84-7) is a useful research chemical. |
Molecular Weight: | 137.57 |
Molecular Formula: | C7H4ClN |
Canonical SMILES: | C1=CC(=CC(=C1)Cl)C#N |
InChI: | InChI=1S/C7H4ClN/c8-7-3-1-2-6(4-7)5-9/h1-4H |
InChI Key: | WBUOVKBZJOIOAE-UHFFFAOYSA-N |
Boiling Point: | 94 °C (11 mmHg) |
Melting Point: | 38-42 °C |
Purity: | 95 % |
Density: | 1.14 g/cm3 |
Appearance: | Very light beige crystalline powder. |
Storage: | Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. |
LogP: | 2.21168 |
GHS Hazard Statement: | H302 (97.56%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P273, P280, P301+P312, P302+P352, P305+P351+P338, P312, P322, P330, P337+P313, P361, P363, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-113214104-A | Method for synthesizing aromatic acetamide | 20210416 |
CN-113024530-A | Isatin-1, 2, 4-oxadiazole compound and preparation method and application thereof | 20210315 |
CN-112898208-A | Phenyl pyrimidinamine antitumor compound and preparation method and application thereof | 20210129 |
CN-214130621-U | A filter equipment for m-chloropropiophenone intermediate product | 20201217 |
CN-214131650-U | Reaction device for synthesizing m-chloropropiophenone | 20201217 |
PMID | Publication Date | Title | Journal |
21210990 | 20110106 | Heterologous expression, purification and characterization of nitrilase from Aspergillus niger K10 | BMC biotechnology |
19287539 | 20080101 | Characterisation of the substrate specificity of the nitrile hydrolyzing system of the acidotolerant black yeast Exophiala oligosperma R1 | Studies in mycology |
17061133 | 20061201 | Purification and characterization of a nitrilase from Aspergillus niger K10 | Applied microbiology and biotechnology |
15803497 | 20050615 | Synthesis, characterization, and first successful monkey imaging studies of metabotropic glutamate receptor subtype 5 (mGluR5) PET radiotracers | Synapse (New York, N.Y.) |
2737207 | 19890615 | Nitrilase of Rhodococcus rhodochrous J1. Purification and characterization | European journal of biochemistry |
Complexity: | 135 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 137.0032268 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 137.0032268 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 23.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Nitrogen Compounds
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS