1-Chloro-4-iodobutane - CAS 10297-05-9
Catalog: |
BB000976 |
Product Name: |
1-Chloro-4-iodobutane |
CAS: |
10297-05-9 |
Synonyms: |
1-chloro-4-iodobutane |
IUPAC Name: | 1-chloro-4-iodobutane |
Description: | 1-Chloro-4-iodobutane acts as a reagent in the synthesis of alkyl chromones/quinolones via cyclization/alkylation of enaminones and as an intermediate in many pharmaceutical synthesis. |
Molecular Weight: | 218.46 |
Molecular Formula: | C4H8ClI |
Canonical SMILES: | C(CCI)CCl |
InChI: | InChI=1S/C4H8ClI/c5-3-1-2-4-6/h1-4H2 |
InChI Key: | JXOSPTBRSOYXGC-UHFFFAOYSA-N |
Boiling Point: | 88 °C (19 torr) |
Purity: | 97 % |
Density: | 1.785 g/cm3 |
Appearance: | Clear yellow to brown liquid |
MDL: | MFCD00039415 |
LogP: | 2.44040 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113087655-A | Levobupivacaine intermediate compound | 20200109 |
JP-2020189813-A | Method for producing norbornene derivative | 20190523 |
WO-2020130137-A1 | Method for producing alkane iodide derivative | 20181221 |
CN-109096249-B | Synthesis method of aripiprazole | 20180813 |
JP-2020015881-A | Modified conjugated diene-based polymer, method for producing the same, modified conjugated diene-based composition, and tire | 20180727 |
Complexity: | 23.5 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 217.93593 |
Formal Charge: | 0 |
Heavy Atom Count: | 6 |
Hydrogen Bond Acceptor Count: | 0 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 217.93593 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 0 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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