2,6-Difluorophenyl isothiocyanate - CAS 207974-17-2
Catalog: |
BB016304 |
Product Name: |
2,6-Difluorophenyl isothiocyanate |
CAS: |
207974-17-2 |
Synonyms: |
1,3-difluoro-2-isothiocyanatobenzene |
IUPAC Name: | 1,3-difluoro-2-isothiocyanatobenzene |
Description: | 2,6-Difluorophenyl isothiocyanate (CAS# 207974-17-2) is a useful research chemical. |
Molecular Weight: | 171.17 |
Molecular Formula: | C7H3F2NS |
Canonical SMILES: | C1=CC(=C(C(=C1)F)N=C=S)F |
InChI: | InChI=1S/C7H3F2NS/c8-5-2-1-3-6(9)7(5)10-4-11/h1-3H |
InChI Key: | DBSXNGIBAKYMSS-UHFFFAOYSA-N |
Boiling Point: | 217 ℃ |
Purity: | 95 % |
Density: | 1.325 g/cm3 |
Solubility: | Hydrolyzes in water. |
Appearance: | Pale yellow liquid |
MDL: | MFCD00041047 |
LogP: | 2.69910 |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P261, P264, P280, P285, P301+P330+P331, P303+P361+P353, P304+P340, P304+P341, P305+P351+P338, P310, P321, P342+P311, P363, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
TW-202003448-A | Adducts of amine catalysts for producing isocyanurate polymers | 20180413 |
WO-2019197638-A1 | Adducts of amine catalysts for producing isocyanurate polymers | 20180413 |
CN-112020525-A | Adducts of amine catalysts for making isocyanurate polymers | 20180413 |
EP-3774961-A1 | Adducts of amine catalysts for producing isocyanurate polymers | 20180413 |
US-2021238341-A1 | Adducts of amine catalysts for producing isocyanurate polymers | 20180413 |
Complexity: | 169 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 170.99542660 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 170.99542660 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 44.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.5 |
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