2-Chloro-4-fluorophenol - CAS 1996-41-4

Catalog:	BB015415
Product Name:	2-Chloro-4-fluorophenol
CAS:	1996-41-4
Synonyms:	Phenol, 2-chloro-4-fluoro-; 4-Fluoro-2-chlorophenol; NSC 10273

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-chloro-4-fluorophenol
Molecular Weight:	146.55
Molecular Formula:	C6H4ClFO
Canonical SMILES:	C1=CC(=C(C=C1F)Cl)O
InChI:	InChI=1S/C6H4ClFO/c7-5-3-4(8)1-2-6(5)9/h1-3,9H
InChI Key:	IGYXYGDEYHNFFT-UHFFFAOYSA-N
Boiling Point:	50°C
Melting Point:	51-53°C
Purity:	95%
Density:	1.377 g/cm3
Solubility:	Soluble in Water (Slightly)
Appearance:	White or Colorless to Light Orange to Yellow Powder to Lump to Clear Liquid
Storage:	Store at RT under inert atmosphere
MDL:	MFCD00002168
LogP:	2.18470

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Oxygen Compounds

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[832740-55-3]
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3-[(4-Chlorobenzyl)oxy]benzaldehyde

GHS Hazard Statement:	H302 (10.87%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	99.1
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	145.9934706
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	145.9934706
Rotatable Bond Count:	0
Topological Polar Surface Area:	20.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.5