4-Amino-3-bromobenzonitrile - CAS 50397-74-5
Catalog: |
BB027037 |
Product Name: |
4-Amino-3-bromobenzonitrile |
CAS: |
50397-74-5 |
Synonyms: |
4-amino-3-bromobenzonitrile |
IUPAC Name: | 4-amino-3-bromobenzonitrile |
Description: | 4-Amino-3-bromobenzonitrile (CAS# 50397-74-5) is a useful research chemical. |
Molecular Weight: | 197.03 |
Molecular Formula: | C7H5BrN2 |
Canonical SMILES: | C1=CC(=C(C=C1C#N)Br)N |
InChI: | InChI=1S/C7H5BrN2/c8-6-3-5(4-9)1-2-7(6)10/h1-3H,10H2 |
InChI Key: | POESQIHWIIWNJL-UHFFFAOYSA-N |
Boiling Point: | 300.3 ℃ at 760 mmHg |
Melting Point: | 106-111 ℃ |
Purity: | 98 % |
Density: | 1.68 g/cm3 |
Appearance: | White to light yellow crystal powder |
MDL: | MFCD01861386 |
LogP: | 2.48418 |
GHS Hazard Statement: | H302 (95.12%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P272, P280, P301+P312, P302+P352, P321, P330, P333+P313, P363, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
JP-2021105200-A | Metal surface treatment agent, metal material having a film, and its manufacturing method | 20191226 |
JP-6779357-B1 | Metal surface treatment agent, metal material having a film, and its manufacturing method | 20191226 |
KR-102252493-B1 | Benzazole derivatives and organic electroluminescent device including the same | 20191226 |
WO-2021131374-A1 | Metal surface-treating agent, and metal material with coating film and method for manufacturing same | 20191226 |
WO-2021132895-A1 | Benzazole derivative and organic electroluminescent device comprising same | 20191226 |
Complexity: | 160 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 195.96361 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 195.96361 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 49.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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Related Functional Groups
Amines and Anilines
Nitrogen Compounds
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