1-Bromo-3,5-dimethylbenzene - CAS 556-96-7
Catalog: |
BB029136 |
Product Name: |
1-Bromo-3,5-dimethylbenzene |
CAS: |
556-96-7 |
Synonyms: |
1-bromo-3,5-dimethylbenzene |
IUPAC Name: | 1-bromo-3,5-dimethylbenzene |
Description: | 1-Bromo-3,5-dimethylbenzene (CAS# 556-96-7) is an organic building block used for the synthesis of various chemicals. It can be used for the preparation of Tri-o-Tolylphosphine. |
Molecular Weight: | 185.06 |
Molecular Formula: | C8H9Br |
Canonical SMILES: | CC1=CC(=CC(=C1)Br)C |
InChI: | InChI=1S/C8H9Br/c1-6-3-7(2)5-8(9)4-6/h3-5H,1-2H3 |
InChI Key: | LMFRTSBQRLSJHC-UHFFFAOYSA-N |
Boiling Point: | 202-204 °C |
Purity: | 98 % |
Density: | 1.362 g/cm3 |
Appearance: | White to light yellow crystal powder |
Storage: | Keep away from heat, sparks, and flame. Keep away from sources of ignition. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. |
MDL: | MFCD00000087 |
LogP: | 3.06590 |
GHS Hazard Statement: | H315 (99.27%): 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-113461572-A | Synthesis of 2- (3-bromo-5-methylphenyl) acetonitrile | 20210630 |
CN-113219085-A | Detection method of 2, 3-dimethyl bromobenzene related substances | 20210331 |
CN-112176444-A | Oxidation-resistant fiber containing taxus chinensis and preparation method thereof | 20201028 |
CN-111875642-A | Poly-terpyridyl metal organic ligand compound, five-membered flower ring-shaped supramolecule assembled by same and preparation method of five-membered flower ring-shaped supramolecule | 20200811 |
CN-111875642-B | Poly-terpyridyl metal organic ligand compound, five-membered flower ring-shaped supramolecule assembled by same and preparation method of five-membered flower ring-shaped supramolecule | 20200811 |
PMID | Publication Date | Title | Journal |
20235608 | 20100325 | Combining homogeneous catalysis with heterogeneous separation using tunable solvent systems | The journal of physical chemistry. A |
Complexity: | 80.6 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 183.98876 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 0 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 183.98876 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 0 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.4 |
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