(S)-4-Bromo-alpha-methylbenzyl Alcohol - CAS 100760-04-1
Catalog: |
BB000333 |
Product Name: |
(S)-4-Bromo-alpha-methylbenzyl Alcohol |
CAS: |
100760-04-1 |
Synonyms: |
(1S)-1-(4-bromophenyl)ethanol; (1S)-1-(4-bromophenyl)ethanol |
IUPAC Name: | (1S)-1-(4-bromophenyl)ethanol |
Description: | (S)-4-Bromo-alpha-methylbenzyl Alcohol (CAS# 100760-04-1) is a building block used in organic synthesis of photochemically active and photophysical pthalocyanines. |
Molecular Weight: | 201.06 |
Molecular Formula: | C8H9BrO |
Canonical SMILES: | CC(C1=CC=C(C=C1)Br)O |
InChI: | InChI=1S/C8H9BrO/c1-6(10)7-2-4-8(9)5-3-7/h2-6,10H,1H3/t6-/m0/s1 |
InChI Key: | XTDTYSBVMBQIBT-LURJTMIESA-N |
Boiling Point: | 253.3 °C at 760 mmHg |
Purity: | ≥ 98 %, ≥ 95 % e.e. |
Density: | 1.322 g/mL at 25°C |
Appearance: | Clear colorless liquid |
Storage: | Sealed in dry, Room Temperature |
MDL: | MFCD06201860 |
LogP: | 2.50240 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
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 |
WO-2021002986-A2 | Bax inhibitors and uses thereof | 20190531 |
WO-2019244066-A2 | Pyridin-3-yl acetic acid derivatives as inhibitors of human immunodeficiency virus replication | 20180619 |
WO-2019224160-A1 | Microbiocidal picolinamide derivatives | 20180525 |
CN-112154141-A | Microbicidal pyridine carboxamide derivatives | 20180525 |
EP-3802493-A1 | Microbiocidal picolinamide derivatives | 20180525 |
Complexity: | 97.4 |
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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