2-Bromo-1,4-dimethylbenzene - CAS 553-94-6
Catalog: |
BB029023 |
Product Name: |
2-Bromo-1,4-dimethylbenzene |
CAS: |
553-94-6 |
Synonyms: |
2-bromo-1,4-dimethylbenzene |
IUPAC Name: | 2-bromo-1,4-dimethylbenzene |
Description: | 2-Bromo-1,4-dimethylbenzene (CAS# 553-94-6) is used in the preparation of novel 4-anilinoquinzaolines which act as inhibitors of epidermal growth factor receptor. |
Molecular Weight: | 185.06 |
Molecular Formula: | C8H9Br |
Canonical SMILES: | CC1=CC(=C(C=C1)C)Br |
InChI: | InChI=1S/C8H9Br/c1-6-3-4-7(2)8(9)5-6/h3-5H,1-2H3 |
InChI Key: | QXISTPDUYKNPLU-UHFFFAOYSA-N |
Boiling Point: | 199-201 °C |
Density: | 1.34 g/cm3 |
Appearance: | Leaflets or oil |
Decomposition: | Decomposed slowly by water |
MDL: | MFCD00000074 |
LogP: | 3.06590 |
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-113219085-A | Detection method of 2, 3-dimethyl bromobenzene related substances | 20210331 |
CN-112321639-A | Preparation method of aryl diphenylphosphine derivative | 20201110 |
WO-2021191384-A1 | Aryl piperidines as monoacylglycerol lipase modulators | 20200326 |
WO-2021163727-A1 | Pikfyve kinase inhibitors | 20200211 |
WO-2021102896-A1 | Organic compounds | 20191129 |
PMID | Publication Date | Title | Journal |
21540525 | 20110501 | A sodium salt of the dimer of boronoterephthalic acid anhydride | Acta crystallographica. Section C, Crystal structure communications |
Complexity: | 90.6 |
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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