Methyl 4-amino-3-iodobenzoate - CAS 19718-49-1
Catalog: |
BB015234 |
Product Name: |
Methyl 4-amino-3-iodobenzoate |
CAS: |
19718-49-1 |
Synonyms: |
methyl 4-amino-3-iodobenzoate |
IUPAC Name: | methyl 4-amino-3-iodobenzoate |
Description: | Methyl 4-amino-3-iodobenzoate (CAS# 19718-49-1) is a useful research chemical. |
Molecular Weight: | 277.06 |
Molecular Formula: | C8H8INO2 |
Canonical SMILES: | COC(=O)C1=CC(=C(C=C1)N)I |
InChI: | InChI=1S/C8H8INO2/c1-12-8(11)5-2-3-7(10)6(9)4-5/h2-4H,10H2,1H3 |
InChI Key: | MRLVFVTVXSKAMX-UHFFFAOYSA-N |
Boiling Point: | 369.6 °C at 760 mmHg |
Melting Point: | 86-91 °C |
Purity: | 98 % |
Density: | 1.826 g/cm3 |
MDL: | MFCD00090423 |
LogP: | 2.24120 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-111892553-A | Method for synthesizing ammonium acetate mediated benzothiazole compound | 20200805 |
WO-2021191240-A1 | Combination therapy | 20200324 |
US-2021190770-A1 | Compositions and methods for using fixed biological samples in partition-based assays | 20191223 |
WO-2021133842-A1 | Compositions and methods for using fixed biological samples in partition-based assays | 20191223 |
WO-2021133845-A1 | Reversible fixing reagents and methods of use thereof | 20191223 |
Complexity: | 174 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 276.95998 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 276.95998 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 52.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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