3-Bromo-5-methylaniline - CAS 74586-53-1
Catalog: |
BB035115 |
Product Name: |
3-Bromo-5-methylaniline |
CAS: |
74586-53-1 |
Synonyms: |
3-bromo-5-methylaniline; 3-bromo-5-methylaniline |
IUPAC Name: | 3-bromo-5-methylaniline |
Description: | 3-Bromo-5-methylaniline (CAS# 74586-53-1) is a useful research chemical. |
Molecular Weight: | 186.05 |
Molecular Formula: | C7H8BrN |
Canonical SMILES: | CC1=CC(=CC(=C1)Br)N |
InChI: | InChI=1S/C7H8BrN/c1-5-2-6(8)4-7(9)3-5/h2-4H,9H2,1H3 |
InChI Key: | YIZRPAWCIFTHNA-UHFFFAOYSA-N |
Boiling Point: | 257.5 ℃ at 760 mmHg |
Density: | 1.498 g/cm3 |
Appearance: | Beige to brown powder or solid |
MDL: | MFCD11845553 |
LogP: | 2.92090 |
GHS Hazard Statement: | H302 (95.45%): 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 |
CN-112778125-A | Aryl phenol compound and synthesis method and application thereof | 20210201 |
CN-111087408-A | Macrocyclic IDH2 mutant inhibitor and medical application thereof | 20200103 |
CN-111087408-B | Macrocyclic IDH2 mutant inhibitor and medical application thereof | 20200103 |
WO-2021021951-A1 | Wdr5-myc inhibitors | 20190729 |
WO-2020150116-A1 | Nlrp3 modulators | 20190114 |
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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