2-Fluorophenyl isothiocyanate - CAS 38985-64-7
Catalog: |
BB023814 |
Product Name: |
2-Fluorophenyl isothiocyanate |
CAS: |
38985-64-7 |
Synonyms: |
1-fluoro-2-isothiocyanatobenzene |
IUPAC Name: | 1-fluoro-2-isothiocyanatobenzene |
Description: | 2-Fluorophenyl isothiocyanate (CAS# 38985-64-7) is an organic synthesis building block and a pharmaceutical intermediate. A useful reagent in the synthesis of acylthiosemicarbazides. |
Molecular Weight: | 153.18 |
Molecular Formula: | C7H4FNS |
Canonical SMILES: | C1=CC=C(C(=C1)N=C=S)F |
InChI: | InChI=1S/C7H4FNS/c8-6-3-1-2-4-7(6)9-5-10/h1-4H |
InChI Key: | OAGDRIUTLPDSMJ-UHFFFAOYSA-N |
Boiling Point: | 225.4 °C at 760 mmHg |
Melting Point: | 24-26 °C |
Purity: | > 97.0 % (GC) |
Density: | 1.248 g/cm3 |
Appearance: | Colorless to yellow liquid |
Storage: | Refrigerator (+4 °C) |
MDL: | MFCD00004800 |
LogP: | 2.56000 |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P261, P264, P271, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P363, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-113262218-A | Application of isothiocyanate compounds | 20200214 |
CN-113181160-A | Application of isothiocyanate compounds | 20200114 |
KR-102301616-B1 | Light-emitting diode comprising two-dimensional metal carbide transparent electrode and preparation method thereof | 20191231 |
KR-20210086926-A | Light-emitting diode comprising two-dimensional metal carbide transparent electrode and preparation method thereof | 20191231 |
KR-20210077111-A | Defect suppressed metal halide perovskite light-emitting material and light-emitting diode comprising the same | 20191216 |
Complexity: | 154 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 153.00484847 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 153.00484847 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 44.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.4 |
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