1-Bromo-2,4,6-tri-tert-butylbenzene - CAS 3975-77-7
Catalog: |
BB024123 |
Product Name: |
1-Bromo-2,4,6-tri-tert-butylbenzene |
CAS: |
3975-77-7 |
Synonyms: |
2-bromo-1,3,5-tritert-butylbenzene |
IUPAC Name: | 2-bromo-1,3,5-tritert-butylbenzene |
Description: | 1-Bromo-2,4,6-tri-tert-butylbenzene (CAS# 3975-77-7) is a useful research chemical. |
Molecular Weight: | 325.33 |
Molecular Formula: | C18H29Br |
Canonical SMILES: | CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)Br)C(C)(C)C |
InChI: | InChI=1S/C18H29Br/c1-16(2,3)12-10-13(17(4,5)6)15(19)14(11-12)18(7,8)9/h10-11H,1-9H3 |
InChI Key: | JOKZWHPYNRDCOA-UHFFFAOYSA-N |
Boiling Point: | 299.7 °C at 760 mmHg |
Melting Point: | 168-173 °C (lit.) |
Purity: | 95 % |
Density: | 1.064 g/cm3 |
MDL: | MFCD00191861 |
LogP: | 6.34160 |
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 |
KR-20210021277-A | Organic electroluminescent materials and devices | 20190815 |
US-2021050532-A1 | Organic electroluminescent materials and devices | 20190815 |
CN-112062788-A | Organic electroluminescent material and device | 20190610 |
EP-3750897-A1 | Organic electroluminescent materials and devices | 20190610 |
KR-20200141954-A | Organic electroluminescent materials and devices | 20190610 |
Complexity: | 273 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 324.14526 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 0 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 324.14526 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 0 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 7.6 |
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