5-(Benzyloxy)-2-bromotoluene - CAS 17671-75-9
Catalog: |
BB013244 |
Product Name: |
5-(Benzyloxy)-2-bromotoluene |
CAS: |
17671-75-9 |
Synonyms: |
1-bromo-2-methyl-4-phenylmethoxybenzene; 1-bromo-2-methyl-4-phenylmethoxybenzene |
IUPAC Name: | 1-bromo-2-methyl-4-phenylmethoxybenzene |
Description: | 5-(Benzyloxy)-2-bromotoluene (CAS# 17671-75-9) is a useful research chemical. |
Molecular Weight: | 277.16 |
Molecular Formula: | C14H13BrO |
Canonical SMILES: | CC1=C(C=CC(=C1)OCC2=CC=CC=C2)Br |
InChI: | InChI=1S/C14H13BrO/c1-11-9-13(7-8-14(11)15)16-10-12-5-3-2-4-6-12/h2-9H,10H2,1H3 |
InChI Key: | KOLLVAZFQFRSHI-UHFFFAOYSA-N |
Boiling Point: | 360.9 °C at 760 mmHg |
Density: | 1.341 g/cm3 |
MDL: | MFCD01317796 |
LogP: | 4.33650 |
GHS Hazard Statement: | H302+H312+H332 (50%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation] |
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 |
CN-107699252-B | Polymeric liquid crystal compound and preparation method and application thereof | 20160808 |
US-2017290819-A1 | Small molecule therapies for pulmonary hypertension | 20160408 |
US-2016362606-A1 | Polymerizable compounds and the use thereof in liquid-crystal displays | 20150609 |
WO-2016196342-A1 | Tetrasubstituted alkene compounds and their use | 20150529 |
CN-104387265-A | Preparation method of 4,5-dihydroxyl-2-methyl benzoic acid | 20141030 |
Complexity: | 201 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 276.01498 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 276.01498 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 9.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.4 |
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