(S)-2-Bromo-alpha-methylbenzyl Alcohol - CAS 114446-55-8
Catalog: |
BB003395 |
Product Name: |
(S)-2-Bromo-alpha-methylbenzyl Alcohol |
CAS: |
114446-55-8 |
Synonyms: |
(1S)-1-(2-bromophenyl)ethanol; (1S)-1-(2-bromophenyl)ethanol |
IUPAC Name: | (1S)-1-(2-bromophenyl)ethanol |
Description: | (S)-2-Bromo-alpha-methylbenzyl Alcohol (CAS# 114446-55-8) is a building block and used in the synthesis of core-shell nanospheres for the asymmetric transfer of hydroquinones. |
Molecular Weight: | 201.06 |
Molecular Formula: | C8H9BrO |
Canonical SMILES: | CC(C1=CC=CC=C1Br)O |
InChI: | InChI=1S/C8H9BrO/c1-6(10)7-4-2-3-5-8(7)9/h2-6,10H,1H3/t6-/m0/s1 |
InChI Key: | DZLZSFZSPIUINR-LURJTMIESA-N |
Boiling Point: | 243.5 °C at 760 mmHg, 128 °C / 15 mmHg (lit.) |
Purity: | ≥ 98 %, ≥ 95 % e.e. |
Density: | 1.47 g/cm3 |
Appearance: | Off-white to light yellow crystalline powder |
Storage: | Sealed in dry, Room Temperature |
MDL: | MFCD00004509 |
LogP: | 2.50240 |
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 |
TW-201908310-A | Compound | 20170511 |
WO-2018205948-A1 | Compounds | 20170511 |
EP-2356123-A1 | Spiro-5,6-dihydro-4h-2,3,5,10b-tetraaza-benzo[e]azulenes | 20081113 |
EP-2356123-B1 | Spiro-5,6-dihydro-4h-2,3,5,10b-tetraaza-benzo[e]azulenes | 20081113 |
US-2010120751-A1 | Spiro-5,6-dihydro-4h-2,3,5,10b-tetraaza-benzo[e]azulenes | 20081113 |
Complexity: | 105 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 199.98368 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 199.98368 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 20.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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