2-Amino-3-bromo-5-nitrobenzonitrile - CAS 17601-94-4
Catalog: |
BB013190 |
Product Name: |
2-Amino-3-bromo-5-nitrobenzonitrile |
CAS: |
17601-94-4 |
Synonyms: |
2-amino-3-bromo-5-nitrobenzonitrile |
IUPAC Name: | 2-amino-3-bromo-5-nitrobenzonitrile |
Description: | 2-Amino-3-bromo-5-nitrobenzonitrile (CAS# 17601-94-4) is a useful research chemical. |
Molecular Weight: | 242.03 |
Molecular Formula: | C7H4BrN3O2 |
Canonical SMILES: | C1=C(C=C(C(=C1Br)N)C#N)[N+](=O)[O-] |
InChI: | InChI=1S/C7H4BrN3O2/c8-6-2-5(11(12)13)1-4(3-9)7(6)10/h1-2H,10H2 |
InChI Key: | MUHLVSZIVTURCZ-UHFFFAOYSA-N |
Boiling Point: | 374.8 ℃ at 760 mmHg |
Density: | 1.88 g/cm3 |
MDL: | MFCD00054185 |
LogP: | 2.91558 |
GHS Hazard Statement: | H302 (75.47%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021187446-A1 | Dye for staining by using supercritical carbon dioxide | 20200317 |
WO-2021187447-A1 | Dye composition | 20200317 |
CN-110776439-A | Azo compound, preparation method and application thereof, dye composition, dye, preparation method and application thereof | 20191106 |
CN-109535044-B | Diazotization method of aromatic primary amine | 20181218 |
WO-2020117877-A1 | Compounds, compositions and methods of use | 20181204 |
PMID | Publication Date | Title | Journal |
11828122 | 20020201 | Hydrogen bonding in C-substituted nitroanilines: sheets built from alternating R(2)(2)(12) and R(6)(6)(36) rings in 2-bromo-6-cyano-4-nitroaniline | Acta crystallographica. Section C, Crystal structure communications |
Complexity: | 256 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 240.94869 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 240.94869 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 95.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Nitrogen Compounds
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS