Methyl 4-bromo-1-methyl-1H-pyrrole-2-carboxylate - CAS 1196-90-3
Catalog: |
BB004577 |
Product Name: |
Methyl 4-bromo-1-methyl-1H-pyrrole-2-carboxylate |
CAS: |
1196-90-3 |
Synonyms: |
methyl 4-bromo-1-methylpyrrole-2-carboxylate |
IUPAC Name: | methyl 4-bromo-1-methylpyrrole-2-carboxylate |
Description: | Methyl 4-bromo-1-methyl-1H-pyrrole-2-carboxylate (CAS# 1196-90-3) is a useful research chemical. |
Molecular Weight: | 218.05 |
Molecular Formula: | C7H8BrNO2 |
Canonical SMILES: | CN1C=C(C=C1C(=O)OC)Br |
InChI: | InChI=1S/C7H8BrNO2/c1-9-4-5(8)3-6(9)7(10)11-2/h3-4H,1-2H3 |
InChI Key: | XYZFZMSLKMPMGW-UHFFFAOYSA-N |
Boiling Point: | 263.1 ℃ at 760 mmHg |
Melting Point: | 63-65 ℃ |
Purity: | 98 % |
Density: | 1.53 g/cm3 |
Appearance: | Solid |
Storage: | Sealed in dry, 2-8 ℃ |
MDL: | MFCD08275077 |
LogP: | 1.57420 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113087746-A | Palladium tris (biaryl) phosphine complexes and their use | 20210331 |
CN-113200963-A | N- (pyrrolyl) -3-pyrazolylamine and preparation method thereof | 20210331 |
US-2020397914-A1 | Benzodiazepine derivatives | 20171228 |
GB-2567126-A | PBC compounds | 20170623 |
EP-3381898-A1 | Symmetrical tris-aryl-amide derivatives and their use as anti-heparanase | 20170327 |
Complexity: | 163 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 216.97384 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 216.97384 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 31.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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Related Functional Groups
Carbonyl Compounds
Pyrroles
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