2-Bromo-3-methylaniline - CAS 54879-20-8
Catalog: |
BB028841 |
Product Name: |
2-Bromo-3-methylaniline |
CAS: |
54879-20-8 |
Synonyms: |
2-bromo-3-methylaniline; 2-bromo-3-methylaniline |
IUPAC Name: | 2-bromo-3-methylaniline |
Description: | 2-Bromo-3-methylaniline (CAS# 54879-20-8) is a useful research chemical. |
Molecular Weight: | 186.05 |
Molecular Formula: | C7H8BrN |
Canonical SMILES: | CC1=C(C(=CC=C1)N)Br |
InChI: | InChI=1S/C7H8BrN/c1-5-3-2-4-6(9)7(5)8/h2-4H,9H2,1H3 |
InChI Key: | VJNUZLYTGSGDHR-UHFFFAOYSA-N |
Boiling Point: | 48 °C / 0.03 mmHg (lit.) |
Density: | 1.489 g/mL at 25°C(lit.) |
MDL: | MFCD06411367 |
LogP: | 2.92090 |
GHS Hazard Statement: | H302 (100%): 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 |
CN-113214041-A | Novel method for preparing 3-iodine-2 bromotoluene | 20210429 |
CN-113072481-A | Indolo-cyclobutane skeleton compound, synthesis method and application | 20210303 |
AU-2020104403-A4 | Compound and application thereof in synthesis of pdl1 antagonist drug molecules | 20201230 |
CN-111187172-A | Nitrophenyl ether compound, preparation method thereof, pharmaceutical composition and application | 20200120 |
US-2021078999-A1 | Plasma kallikrein inhibitors and uses thereof | 20190918 |
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: | 2.3 |
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