3-Bromo-4-methoxybenzonitrile - CAS 117572-79-9
Catalog: |
BB003959 |
Product Name: |
3-Bromo-4-methoxybenzonitrile |
CAS: |
117572-79-9 |
Synonyms: |
3-bromo-4-methoxybenzonitrile |
IUPAC Name: | 3-bromo-4-methoxybenzonitrile |
Description: | 3-Bromo-4-methoxybenzonitrile (CAS# 117572-79-9) is a useful research chemical. |
Molecular Weight: | 212.04 |
Molecular Formula: | C8H6BrNO |
Canonical SMILES: | COC1=C(C=C(C=C1)C#N)Br |
InChI: | InChI=1S/C8H6BrNO/c1-11-8-3-2-6(5-10)4-7(8)9/h2-4H,1H3 |
InChI Key: | QHWZMDRKTYTPEE-UHFFFAOYSA-N |
Boiling Point: | 282.8 ℃ at 760 mmHg |
Melting Point: | 122-124 ℃ |
Purity: | 98 % |
Density: | 1.56 g/cm3 |
Storage: | Sealed in dry, Room Temperature |
MDL: | MFCD00143097 |
LogP: | 2.32938 |
GHS Hazard Statement: | H302 (97.67%): 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 |
WO-2021102896-A1 | Organic compounds | 20191129 |
WO-2021105261-A1 | Trpm8 modulators | 20191129 |
WO-2021043870-A1 | Substituted cyanopyrrolidines with activity as usp30 inhibitors | 20190904 |
CN-108148055-B | D-pi-A type organic fluorescent material based on naphthalene and preparation method thereof | 20180206 |
WO-2019063748-A1 | INHIBITORS OF ROR-GAMMA | 20170930 |
Complexity: | 174 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 210.96328 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 210.96328 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 33 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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