4-Chlorobutyronitrile - CAS 628-20-6
Catalog: |
BB031824 |
Product Name: |
4-Chlorobutyronitrile |
CAS: |
628-20-6 |
Synonyms: |
4-chlorobutanenitrile |
IUPAC Name: | 4-chlorobutanenitrile |
Description: | 4-Chlorobutyronitrile (CAS# 628-20-6) is a compound useful in organic synthesis. |
Molecular Weight: | 103.55 |
Molecular Formula: | C4H6ClN |
Canonical SMILES: | C(CC#N)CCl |
InChI: | InChI=1S/C4H6ClN/c5-3-1-2-4-6/h1-3H2 |
InChI Key: | ZFCFBWSVQWGOJJ-UHFFFAOYSA-N |
Boiling Point: | 195-197 ℃ |
Melting Point: | -44 ℃ |
Purity: | 95 % |
Density: | 1.158 g/cm3 |
Appearance: | Colorless transparent liquid |
Storage: | Keep away from heat, sparks, and flame. Keep away from sources of ignition. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. |
MDL: | MFCD00001977 |
LogP: | 1.52898 |
Vapor Pressure: | 1.0 [mmHg] |
GHS Hazard Statement: | H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-113372383-A | Preparation method of organic phosphate compound | 20210707 |
CN-113083248-A | Preparation process of environment-friendly adsorption material | 20210421 |
CN-112831488-A | Glutamic acid decarboxylase and gamma-aminobutyric acid high-yield strain | 20210304 |
CN-112851583-A | Novel benzazepine compounds, compositions and uses thereof | 20210119 |
CN-112375489-A | Screw and processing technology thereof | 20201118 |
Complexity: | 61.2 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 103.0188769 |
Formal Charge: | 0 |
Heavy Atom Count: | 6 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 103.0188769 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 23.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.6 |
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