3-Fluoro-4-methylbenzyl Alcohol - CAS 192702-79-7

Catalog:	BB014900
Product Name:	3-Fluoro-4-methylbenzyl Alcohol
CAS:	192702-79-7
Synonyms:	(3-fluoro-4-methylphenyl)methanol; (3-fluoro-4-methylphenyl)methanol

Technical Data

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Computed Properties

IUPAC Name:	(3-fluoro-4-methylphenyl)methanol
Description:	3-Fluoro-4-methylbenzyl Alcohol (CAS# 192702-79-7) is a useful research chemical.
Molecular Weight:	140.15
Molecular Formula:	C8H9FO
Canonical SMILES:	CC1=C(C=C(C=C1)CO)F
InChI:	InChI=1S/C8H9FO/c1-6-2-3-7(5-10)4-8(6)9/h2-4,10H,5H2,1H3
InChI Key:	UUVJAGTYIVYFOS-UHFFFAOYSA-N
Boiling Point:	212.8 °C at 760 mmHg
Density:	1.132 g/cm³
Appearance:	White low mp solid
MDL:	MFCD01631533
LogP:	1.62640

Publication Number	Title	Priority Date
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EP-3886854-A1	Pyrrole and pyrazole compounds and methods of use thereof	20181130

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	105
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	140.063743068
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	140.063743068
Rotatable Bond Count:	1
Topological Polar Surface Area:	20.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5