2-Fluorophenol - CAS 367-12-4

Name: 2-Fluorophenol
Brand: BOC Sciences
Rating: 5 (1 reviews)

Technical Data

IUPAC Name:	2-fluorophenol
Description:	2-Fluorophenol (CAS# 367-12-4) is a competitive inhibitor in the oxidation of 3,4-dihydroxyphenylalanine (L-DOPA), a catecholamine precursor that is used as a therapeutic agent for patients with Parkinson's disease. 2-Fluorophenol is also used as a sole carbon energy source for bacteria.
Molecular Weight:	112.10
Molecular Formula:	C6H5FO
Canonical SMILES:	C1=CC=C(C(=C1)O)F
InChI:	InChI=1S/C6H5FO/c7-5-3-1-2-4-6(5)8/h1-4,8H
InChI Key:	HFHFGHLXUCOHLN-UHFFFAOYSA-N
Boiling Point:	171-172 °C (741 torr)
Melting Point:	61 °F
Density:	1.256 g/cm³
Appearance:	Liquid or crystalline solid melting at 14-16°c. corrosive. density 1.246 g / cm3.
MDL:	MFCD00002155
LogP:	1.53130
Vapor Pressure:	1.19 [mmHg]

GHS Hazard Statement:	H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]; H302 (78.57%): Harmful if swallowed [Warning Acute toxicity, oral]; H312 (78.57%): Harmful in contact with skin [Warning Acute toxicity, dermal]; H314 (35.71%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]; H315 (35.71%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (35.71%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H332 (42.86%): Harmful if inhaled [Warning Acute toxicity, inhalation]; H335 (28.57%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P370+P378, P403+P233, P403+P235, P405, and P501
Signal Word:	Danger

Publication Number	Title	Priority Date
WO-2021123372-A1	Novel compounds and their use	20191219
WO-2021106230-A1	Novel phenol compound or salt thereof	20191129
WO-2021095302-A1	Semiconductor device production method, dicing die-bonding integrated film, and production method therefor	20191115
WO-2021095369-A1	Integrated dicing/die-bonding film, method for manufacturing same, and method for manufacturing semiconductor device	20191115
WO-2021095370-A1	Dicing die-bonding integrated film, production method therefor, and semiconductor device production method	20191115

PMID	Publication Date	Title	Journal
22736400	20120801	F···HO intramolecular hydrogen bond as the main transmission mechanism for (1h)J(F,H(O)) coupling constant in 2'-fluoroflavonol	Magnetic resonance in chemistry : MRC
22101783	20120701	Isolation and characterization of a Rhodococcus strain able to degrade 2-fluorophenol	Applied microbiology and biotechnology
22060965	20111215	2-fluorophenol degradation by aerobic granular sludge in a sequencing batch reactor	Water research
22095853	20111201	1hJFH coupling in 2-fluorophenol revisited: is intramolecular hydrogen bond responsible for this long-range coupling?	Magnetic resonance in chemistry : MRC
21803579	20111001	Bioaugmentation of a rotating biological contactor for degradation of 2-fluorophenol	Bioresource technology

Complexity:	74.9
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	112.032442941
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	112.032442941
Rotatable Bond Count:	0
Topological Polar Surface Area:	20.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7