3,4-Dibromotoluene - CAS 60956-23-2
Catalog: |
BB030867 |
Product Name: |
3,4-Dibromotoluene |
CAS: |
60956-23-2 |
Synonyms: |
Benzene, 1,2-dibromo-4-methyl-; Toluene, 3,4-dibromo-; NSC 139879 |
IUPAC Name: | 1,2-dibromo-4-methylbenzene |
Molecular Weight: | 249.93 |
Molecular Formula: | C7H6Br2 |
Canonical SMILES: | CC1=CC(=C(C=C1)Br)Br |
InChI: | InChI=1S/C7H6Br2/c1-5-2-3-6(8)7(9)4-5/h2-4H,1H3 |
InChI Key: | LDCPXNOCWDGYIU-UHFFFAOYSA-N |
Boiling Point: | 123-124°C at 19 Torr |
Melting Point: | 2°C |
Purity: | ≥95% |
Density: | 1.8197 g/cm3 |
Appearance: | Colorless to Light Yellow Clear Liquid |
Storage: | Store at RT |
MDL: | MFCD00079744 |
LogP: | 3.52000 |
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-111747976-A | Metal complex and preparation method and application thereof | 20200630 |
CN-110981702-A | Efficient synthesis method of 2, 3-dibromophenol or derivatives thereof | 20191105 |
CN-111517902-A | Aerobic oxidation system containing sulfinic acid, sulfonic acid or derivatives thereof and photo-oxidation promoting method thereof | 20190201 |
WO-2020155595-A1 | Aerobic oxidation system containing sulfinic acid, sulfonic acid or derivatives thereof and photocatalytic oxidation method therefor | 20190201 |
JP-2019116472-A | Fused ring compound and material for organic electroluminescent device | 20171226 |
PMID | Publication Date | Title | Journal |
18376860 | 20080502 | Copper-catalyzed domino annulation approaches to the synthesis of benzoxazoles under microwave-accelerated and conventional thermal conditions | The Journal of organic chemistry |
Complexity: | 92.9 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 249.88158 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 0 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 247.88363 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 0 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.7 |
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