4-Chloro-2-methylbenzyl alcohol - CAS 129716-11-6

Catalog:	BB007010
Product Name:	4-Chloro-2-methylbenzyl alcohol
CAS:	129716-11-6
Synonyms:	(4-chloro-2-methylphenyl)methanol

Technical Data

Safety and Hazards

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Computed Properties

IUPAC Name:	(4-chloro-2-methylphenyl)methanol
Description:	4-Chloro-2-methylbenzyl alcohol (CAS# 129716-11-6) is a useful research chemical.
Molecular Weight:	156.61
Molecular Formula:	C8H9ClO
Canonical SMILES:	CC1=C(C=CC(=C1)Cl)CO
InChI:	InChI=1S/C8H9ClO/c1-6-4-8(9)3-2-7(6)5-10/h2-4,10H,5H2,1H3
InChI Key:	AHXBDGJNZJKLNE-UHFFFAOYSA-N
Boiling Point:	258.8 °C at 760 mmHg
Melting Point:	60-64 °C (lit.)
Purity:	95 %
Density:	1.191 g/cm³
Appearance:	Solid
Storage:	Sealed in dry, Room Temperature
MDL:	MFCD06201140
LogP:	2.14070

Publication Number	Title	Priority Date
US-10442779-B2	Compositions and methods for treating Friedreich's ataxia	20140922
US-2016083358-A1	Compositions and methods for treating friedreich's ataxia	20140922
US-2016214971-A1	Biaryl Acyl-Sulfonamide Compounds as Sodium Channel Inhibitors	20131001
US-9663508-B2	Biaryl acyl-sulfonamide compounds as sodium channel inhibitors	20131001
TW-201429959-A	Heterocyclic nuclear hormone receptor modulator	20121221

PMID	Publication Date	Title	Journal
16724218	20061001	Identification of sulfation sites of metabolites and prediction of the compounds' biological effects	Analytical and bioanalytical chemistry

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Related Functional Groups

Oxygen Compounds

[52378-69-5]
Diethyl trans-cinnamylphosphonate
[1263034-11-2]
[(2-Azido-3-hexadecoxypropoxy)-diphenylmethyl]benzene
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[5333-45-9]
1,2,3,5-Tetramethoxybenzene
[865774-78-3]
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester

GHS Hazard Statement:	H315 (13.64%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	105
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	156.0341926
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	156.0341926
Rotatable Bond Count:	1
Topological Polar Surface Area:	20.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.6