(R)-4-Bromo-alpha-methylbenzyl Alcohol - CAS 76155-78-7

Catalog:	BB035507
Product Name:	(R)-4-Bromo-alpha-methylbenzyl Alcohol
CAS:	76155-78-7
Synonyms:	(1R)-1-(4-bromophenyl)ethanol; (1R)-1-(4-bromophenyl)ethanol

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Computed Properties

IUPAC Name:	(1R)-1-(4-bromophenyl)ethanol
Description:	(R)-4-Bromo-alpha-methylbenzyl Alcohol (CAS# 76155-78-7) is a building block used in organic reactions such as the modification of phthalocyanines.
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-/m1/s1
InChI Key:	XTDTYSBVMBQIBT-ZCFIWIBFSA-N
Boiling Point:	253.3 °C at 760 mmHg
Purity:	≥ 98 %, ≥ 95 % e.e.
Density:	1.322 g/mL at 25°C
MDL:	MFCD06201861
LogP:	2.50240

Publication Number	Title	Priority Date
CN-106032347-A	Method for synthesizing chiral alcohol	20150309
CN-104262096-A	Synthetic method of R-1-(4-bromophenyl) ethanol and ester of R-1-(4- bromophenyl) ethanol	20141012
EP-3062827-A1	Radioligands for imaging the lpa-1 receptor	20131031
US-2016256577-A1	Radioligands for imaging the lpa-1 receptor	20131031
US-9987381-B2	Radioligands for imaging the LPA-1 receptor	20131031

PMID	Publication Date	Title	Journal
17531472	20080401	Production of (R)-1-(4-Bromo-phenyl)-ethanol by locally isolated Aspergillus niger using ram horn peptone	Bioresource technology

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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

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