3-Chloro-2-fluorobenzonitrile - CAS 94087-40-8
Catalog: |
BB041185 |
Product Name: |
3-Chloro-2-fluorobenzonitrile |
CAS: |
94087-40-8 |
Synonyms: |
3-chloro-2-fluorobenzonitrile |
IUPAC Name: | 3-chloro-2-fluorobenzonitrile |
Description: | 3-Chloro-2-fluorobenzonitrile (CAS# 94087-40-8) is a useful research chemical. |
Molecular Weight: | 155.56 |
Molecular Formula: | C7H3ClFN |
Canonical SMILES: | C1=CC(=C(C(=C1)Cl)F)C#N |
InChI: | InChI=1S/C7H3ClFN/c8-6-3-1-2-5(4-10)7(6)9/h1-3H |
InChI Key: | CHKLNKWJIDQKFV-UHFFFAOYSA-N |
Boiling Point: | 206.3 °C at 760 mmHg |
Melting Point: | 40-44 °C |
Purity: | 95 % |
Density: | 1.33 g/cm3 |
Appearance: | White to light yellow crystal powder |
MDL: | MFCD00042206 |
LogP: | 2.35078 |
GHS Hazard Statement: | H311 (13.33%): Toxic in contact with skin [Danger Acute toxicity, dermal] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P332+P313, P337+P313, P361, P362, P363, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-111646961-A | Preparation method of ganoderma lucidum furan A | 20200729 |
WO-2021202781-A1 | N-heteroarylalkyl-2-(heterocyclyl and heterocyclylmethyl) acetamide derivatives as sstr4 agonists | 20200331 |
WO-2021154966-A1 | Compounds and compositions for use in treating skin disorders | 20200129 |
WO-2021094209-A1 | Substituted pyrrolo triazine carboxamide derivatives as prostaglandin ep3 receptor antagonists | 20191112 |
WO-2021032582-A1 | Pyrazolo[4,3-c]pyridine derivatives and pharmaceutical compositions thereof for the treatment of inflammatory disorders | 20190819 |
Complexity: | 162 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 154.9938050 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 154.9938050 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 23.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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