4-(Chloromethyl)benzonitrile - CAS 874-86-2
Catalog: |
BB038493 |
Product Name: |
4-(Chloromethyl)benzonitrile |
CAS: |
874-86-2 |
Synonyms: |
4-(chloromethyl)benzonitrile |
IUPAC Name: | 4-(chloromethyl)benzonitrile |
Description: | 4-(Chloromethyl)benzonitrile (CAS# 874-86-2) is a useful research chemical. |
Molecular Weight: | 151.59 |
Molecular Formula: | C8H6ClN |
Canonical SMILES: | C1=CC(=CC=C1CCl)C#N |
InChI: | InChI=1S/C8H6ClN/c9-5-7-1-3-8(6-10)4-2-7/h1-4H,5H2 |
InChI Key: | LOQLDQJTSMKBJU-UHFFFAOYSA-N |
Boiling Point: | 271 °C at 760 mmHg |
Density: | 1.18 g/cm3 |
MDL: | MFCD00019761 |
LogP: | 2.29708 |
GHS Hazard Statement: | H302 (97.73%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P260, P264, P270, P280, P301+P312, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P330, P363, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-113336750-A | Dithioacetal-containing pyridopyrimidone derivative and preparation and application thereof | 20210531 |
CN-113200983-A | Compound with pyrrolopyridine structure, preparation method and medical application | 20210522 |
CN-112409196-A | Preparation process of aminomethylbenzoic acid based on Delbin reaction | 20201126 |
CN-112321535-A | Preparation method of immaric acid or hydrochloride thereof | 20201110 |
CN-112079747-A | N-benzyloxy substituted symmetrical oxamide compound and preparation method and application thereof | 20201020 |
PMID | Publication Date | Title | Journal |
22199770 | 20111201 | 2-(4-Chloro-phen-yl)acetamide | Acta crystallographica. Section E, Structure reports online |
11724597 | 20011205 | Stabilities of ion/radical adducts in the liquid phase as derived from the dependence of electrochemical cleavage reactivities upon solvent | Journal of the American Chemical Society |
11457315 | 20010530 | Stepwise and concerted pathways in photoinduced and thermal electron-transfer/bond-breaking reactions. experimental illustration of similarities and contrasts | Journal of the American Chemical Society |
Complexity: | 139 |
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 |
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