3-(Chloromethyl)benzonitrile - CAS 64407-07-4
Catalog: |
BB032460 |
Product Name: |
3-(Chloromethyl)benzonitrile |
CAS: |
64407-07-4 |
Synonyms: |
3-(chloromethyl)benzonitrile |
IUPAC Name: | 3-(chloromethyl)benzonitrile |
Description: | 3-(Chloromethyl)benzonitrile (CAS# 64407-07-4) is a useful research chemical. |
Molecular Weight: | 151.59 |
Molecular Formula: | C8H6ClN |
Canonical SMILES: | C1=CC(=CC(=C1)CCl)C#N |
InChI: | InChI=1S/C8H6ClN/c9-5-7-2-1-3-8(4-7)6-10/h1-4H,5H2 |
InChI Key: | WRXVOTDGLNPNND-UHFFFAOYSA-N |
Boiling Point: | 259 °C at 760 mmHg |
Purity: | 98 % |
Density: | 1.18 g/cm3 |
MDL: | MFCD02684191 |
LogP: | 2.29708 |
GHS Hazard Statement: | H302 (95%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P280, P301+P312, P302+P352, P305+P351+P338, P321, P330, P332+P313, P337+P313, P362, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112705267-A | High-efficiency photocatalyst and preparation method thereof | 20201211 |
CN-111848467-A | Preparation method of asymmetric organic persulfate compound | 20200707 |
CN-111848467-B | Preparation method of asymmetric organic persulfate compound | 20200707 |
CN-111423388-A | 7-methoxy-3-phenylquinoxaline-2 (1H) -one derivative and preparation method and application thereof | 20200429 |
CN-111499585-A | Quinoxaline derivative and preparation method and application thereof | 20200429 |
Complexity: | 147 |
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: | 1 |
Topological Polar Surface Area: | 23.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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