2-Bromo-5-methylaniline - CAS 53078-85-6
Catalog: |
BB028037 |
Product Name: |
2-Bromo-5-methylaniline |
CAS: |
53078-85-6 |
Synonyms: |
Benzenamine, 2-bromo-5-methyl-; 2-Bromo-5-methylbenzenamine; m-Toluidine, 6-bromo-; (2-Bromo-5-methylphenyl)amine; 3-Amino-4-bromotoluene; 5-Methyl-2-bromoaniline |
IUPAC Name: | 2-bromo-5-methylaniline |
Molecular Weight: | 186.05 |
Molecular Formula: | C7H8BrN |
Canonical SMILES: | CC1=CC(=C(C=C1)Br)N |
InChI: | InChI=1S/C7H8BrN/c1-5-2-3-6(8)7(9)4-5/h2-4H,9H2,1H3 |
InChI Key: | QTAQWOXSUFGGKH-UHFFFAOYSA-N |
Boiling Point: | 129-130°C |
Melting Point: | 46°C |
Purity: | ≥95% |
Density: | 1.474 g/cm3 |
Appearance: | White to Orange to Green Solid |
Storage: | Store at 2-8°C |
MDL: | MFCD01806278 |
LogP: | 2.92090 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P312, P330, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-111777540-A | Method for synthesizing pyrrolidone compound by continuous light-induced catalysis | 20200723 |
CN-111777540-B | Method for synthesizing pyrrolidone compound by continuous light-induced catalysis | 20200723 |
WO-2021145401-A1 | Spiroheterocyclic derivatives as crhr2 antagonist | 20200115 |
CN-111196839-A | Thiostrepton derivative and preparation method thereof | 20191231 |
WO-2021014437-A1 | Process for the preparation of biphenylamines | 20190719 |
Complexity: | 94.9 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 184.98401 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 184.98401 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 26 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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Amines and Anilines
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