3-(3,4-Dichlorophenyl)-3-oxopropanenitrile - CAS 4640-68-0
Catalog: |
BB026128 |
Product Name: |
3-(3,4-Dichlorophenyl)-3-oxopropanenitrile |
CAS: |
4640-68-0 |
Synonyms: |
3-(3,4-dichlorophenyl)-3-oxopropanenitrile; 3-(3,4-dichlorophenyl)-3-oxopropanenitrile |
IUPAC Name: | 3-(3,4-dichlorophenyl)-3-oxopropanenitrile |
Description: | 3-(3,4-Dichlorophenyl)-3-oxopropanenitrile (CAS# 4640-68-0) is a useful research chemical. |
Molecular Weight: | 214.05 |
Molecular Formula: | C9H5Cl2NO |
Canonical SMILES: | C1=CC(=C(C=C1C(=O)CC#N)Cl)Cl |
InChI: | InChI=1S/C9H5Cl2NO/c10-7-2-1-6(5-8(7)11)9(13)3-4-12/h1-2,5H,3H2 |
InChI Key: | HUEULXLHYYYTTP-UHFFFAOYSA-N |
Boiling Point: | 398.4 °C at 760 mmHg |
Density: | 1.383 g/cm3 |
Solubility: | Insoluble in water |
Appearance: | Yellow solid |
MDL: | MFCD00067919 |
LogP: | 3.08978 |
GHS Hazard Statement: | H302 (83.33%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
JP-2018012834-A | Pigment composition, coloring composition and colored curable composition | 20160707 |
KR-20180006316-A | Pigment composition, colored composition and colored curable composition | 20160707 |
CN-107586469-B | Pigment composition, coloring composition, and coloring curable composition | 20160707 |
JP-2017137490-A | Compound and coloring composition | 20160201 |
KR-20170091525-A | Compound and coloring composition | 20160201 |
Complexity: | 245 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 212.9748192 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 212.9748192 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 40.9 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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