2-Amino-3,5-dibromobenzonitrile - CAS 68385-95-5
Catalog: |
BB033544 |
Product Name: |
2-Amino-3,5-dibromobenzonitrile |
CAS: |
68385-95-5 |
Synonyms: |
2-amino-3,5-dibromobenzonitrile |
IUPAC Name: | 2-amino-3,5-dibromobenzonitrile |
Description: | 2-Amino-3,5-dibromobenzonitrile (CAS# 68385-95-5) is a useful research chemical for organic synthesis and other chemical processes. |
Molecular Weight: | 275.93 |
Molecular Formula: | C7H4Br2N2 |
Canonical SMILES: | C1=C(C=C(C(=C1Br)N)C#N)Br |
InChI: | InChI=1S/C7H4Br2N2/c8-5-1-4(3-10)7(11)6(9)2-5/h1-2H,11H2 |
InChI Key: | WLZCMGXAEXFAQA-UHFFFAOYSA-N |
Boiling Point: | 301.2 °C at 760 mmHg |
Density: | 2.12 g/cm3 |
MDL: | MFCD00179571 |
LogP: | 3.24668 |
GHS Hazard Statement: | H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]; H311 (100%): Toxic in contact with skin [Danger Acute toxicity, dermal]; H331 (100%): Toxic if inhaled [Danger Acute toxicity, inhalation] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P316, P302+P352, P304+P340, P316, P321, P330, P361+P364, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-112403446-A | Conjugated microporous polymer and preparation method and application thereof | 20201028 |
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WO-2021028382-A1 | [1,2,4]triazolo[1,5-c]quinazolin-5-amines | 20190812 |
JP-2021024832-A | Diphenylurea compound derivative | 20190807 |
CN-110283328-A | A kind of zirconium metal-organic framework material and preparation method thereof as crystal sponge | 20190528 |
Complexity: | 186 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 275.87207 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 273.87412 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 49.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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