3,5-Dichlorophenyl Isothiocyanate - CAS 6590-93-8
Catalog: |
BB032857 |
Product Name: |
3,5-Dichlorophenyl Isothiocyanate |
CAS: |
6590-93-8 |
Synonyms: |
1,3-dichloro-5-isothiocyanatobenzene; 1,3-dichloro-5-isothiocyanatobenzene |
IUPAC Name: | 1,3-dichloro-5-isothiocyanatobenzene |
Description: | 3,5-Dichlorophenyl Isothiocyanate (CAS# 6590-93-8) is a useful research chemical. |
Molecular Weight: | 204.08 |
Molecular Formula: | C7H3Cl2NS |
Canonical SMILES: | C1=C(C=C(C=C1Cl)Cl)N=C=S |
InChI: | InChI=1S/C7H3Cl2NS/c8-5-1-6(9)3-7(2-5)10-4-11/h1-3H |
InChI Key: | JLEMKZDHFGCHLO-UHFFFAOYSA-N |
Boiling Point: | 274 °C (lit.) |
Density: | 1.37 g/cm3 |
MDL: | MFCD00041072 |
LogP: | 3.72770 |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]; H318 (88.37%): Causes serious eye damage [Danger Serious eye damage/eye irritation] |
Precautionary Statement: | P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-107033558-A | A kind of modified PET brush filament and preparation method thereof | 20170418 |
CN-106637465-A | Easily degradable and regenerative modified PP (polypropylene) brush wire and preparation method thereof | 20161208 |
CN-106637479-A | Modified PET brush wire and preparation method thereof | 20161208 |
EP-3464287-A1 | Animal and human anti-malarial agents | 20160602 |
EP-3464312-A1 | Animal and human anti-trypanosomonal and anti-leishmania agents | 20160602 |
PMID | Publication Date | Title | Journal |
16037926 | 20050701 | The factors that influence the elution order for the resolution of amino acids on vancomycin phase using the polar-organic mobile phases after their pre-column derivatization with electrophilic reagents | Biomedical chromatography : BMC |
Complexity: | 169 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 202.9363257 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 202.9363257 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 44.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.6 |
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