1,3-Dichlorobutane - CAS 1190-22-3
Catalog: |
BB004371 |
Product Name: |
1,3-Dichlorobutane |
CAS: |
1190-22-3 |
Synonyms: |
1,3-dichlorobutane |
IUPAC Name: | 1,3-dichlorobutane |
Description: | 1,3-Dichlorobutane (CAS# 1190-22-3) is a useful building block. It is a used to prepare azacycloalkanes, isoindoles, pyrazole, pyrazolidine, and phthalazine derivatives via microwave-assisted aqueous N-heterocyclizations of primary amines and hydrazines with dihalides and ditosylates. It can be also used to synthesize pyrazole, pyrazolidine and phthalazine derivatives by microwave-assisted cyclocondensation with hydrazine derivatives. |
Molecular Weight: | 127.01 |
Molecular Formula: | C4H8Cl2 |
Canonical SMILES: | CC(CCCl)Cl |
InChI: | InChI=1S/C4H8Cl2/c1-4(6)2-3-5/h4H,2-3H2,1H3 |
InChI Key: | QBGVARBIQGHVKR-UHFFFAOYSA-N |
Boiling Point: | 134 °C at 760 mmHg |
Purity: | 95 % |
Density: | 1.115 g/mL at 25 °C (lit.) |
Appearance: | Clear, colorless liquid |
MDL: | MFCD00000870 |
LogP: | 2.24260 |
GHS Hazard Statement: | H226 (100%): Flammable liquid and vapor [Warning Flammable liquids] |
Precautionary Statement: | P210, P233, P240, P241, P242, P243, P261, P264, P271, P280, P303+P361+P353, P304+P340, P305+P351+P338, P312, P337+P313, P370+P378, P403+P233, P403+P235, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113416330-A | High-density high-elongation polyethylene film and preparation method thereof | 20210604 |
CN-112675667-A | Recovery and absorption system and method for chloromethane in alkyl metal production process | 20201231 |
CN-112675668-A | System and method for recovering and absorbing chloroethane in alkyl metal production process | 20201231 |
WO-2021123904-A1 | Polymeric fatty acid compounds for the treatment of fibrous amino acid-based substrates, especially hair | 20191217 |
WO-2020017667-A2 | Method for controlling volunteer corn in cultivation of dicot crops | 20191127 |
PMID | Publication Date | Title | Journal |
21314180 | 20110309 | Elucidation of the enantioselective enzymatic hydrolysis of chiral herbicide dichlorprop methyl by chemical modification | Journal of agricultural and food chemistry |
20688331 | 20100903 | Characterization of racemization of chiral pesticides in organic solvents and water | Journal of chromatography. A |
18655160 | 20090401 | Enantioselective separation and degradation of the herbicide dichlorprop methyl in sediment | Chirality |
18437615 | 20080501 | Enantioselectivity in toxicity and degradation of dichlorprop-methyl in algal cultures | Journal of environmental science and health. Part. B, Pesticides, food contaminants, and agricultural wastes |
16187418 | 20051001 | Influence of kaolinite on chiral hydrolysis of methyl dichlorprop enantiomers | Journal of Zhejiang University. Science. B |
Complexity: | 28.7 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 126.0003056 |
Formal Charge: | 0 |
Heavy Atom Count: | 6 |
Hydrogen Bond Acceptor Count: | 0 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 126.0003056 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 0 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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