3-Aminobenzofuran-2-carbonitrile - CAS 62208-67-7
Catalog: |
BB031458 |
Product Name: |
3-Aminobenzofuran-2-carbonitrile |
CAS: |
62208-67-7 |
Synonyms: |
3-amino-2-benzofurancarbonitrile; 3-amino-1-benzofuran-2-carbonitrile |
IUPAC Name: | 3-amino-1-benzofuran-2-carbonitrile |
Description: | 3-Aminobenzofuran-2-carbonitrile (CAS# 62208-67-7 ) is a useful research chemical. |
Molecular Weight: | 158.16 |
Molecular Formula: | C9H6N2O |
Canonical SMILES: | C1=CC=C2C(=C1)C(=C(O2)C#N)N |
InChI: | InChI=1S/C9H6N2O/c10-5-8-9(11)6-3-1-2-4-7(6)12-8/h1-4H,11H2 |
InChI Key: | KPLPXBCQZSGRGU-UHFFFAOYSA-N |
Boiling Point: | 347.3 °C at 760 mmHg |
Density: | 1.31 g/cm3 |
LogP: | 2.46788 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2007213320-A1 | 4-substituted-1,5-dihydro-pyrido[3,2-b]indol-2-ones | 20040517 |
US-7622582-B2 | Derivatives of 1-phenyl-benzofuro[3,2]pyridin-2(1H)-one | 20040517 |
US-4703053-A | Benzothiophenes and benzofurans and antiallergic use thereof | 19851028 |
DK-169326-B1 | Benzothiophenes and benzofurans with antiallergic activity, as well as pharmaceutical preparations containing these compounds | 19841210 |
EP-0187487-A1 | Benzothiophenes and benzofurans having antiallergic activity | 19841210 |
Complexity: | 220 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 158.048012819 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 158.048012819 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 63 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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