3,4-Difluorophenol - CAS 2713-33-9

Catalog:	BB019476
Product Name:	3,4-Difluorophenol
CAS:	2713-33-9
Synonyms:	Phenol, 3,4-difluoro-; 4,5-Difluorophenol

Technical Data

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Computed Properties

IUPAC Name:	3,4-difluorophenol
Molecular Weight:	130.09
Molecular Formula:	C6H4F2O
Canonical SMILES:	C1=CC(=C(C=C1O)F)F
InChI:	InChI=1S/C6H4F2O/c7-5-2-1-4(9)3-6(5)8/h1-3,9H
InChI Key:	BNPWVUJOPCGHIK-UHFFFAOYSA-N
Boiling Point:	184.6±0.0°C at 760 mmHg
Melting Point:	34-38°C
Purity:	≥95%
Density:	1.351±0.06 g/cm3
Appearance:	Off-white Low-melting Fused Solid
Storage:	Store at RT
MDL:	MFCD00010315
LogP:	1.67040

Publication Number	Title	Priority Date
CN-112624927-A	TRPV3 inhibitor and preparation method thereof	20201221
CN-112691099-A	Application of organic compound in preparation of medicine for treating colon cancer	20201221
CN-112225744-A	6H-benzopyrano [3,4-b ] quinoline compound and preparation method and application thereof	20200831
CN-213113162-U	Condensing equipment is used in effectual 3, 4-difluorophenol preparation of condensation	20200723
WO-2021198149-A1	Substituted 3-phenoxyazetidin-1-yl-pyrazines having gpr52 agonistic activity	20200330

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Oxygen Compounds

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GHS Hazard Statement:	H228 (100%): Flammable solid [Danger Flammable solids]
Precautionary Statement:	P210, P240, P241, P260, P264, P270, P280, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P322, P330, P363, P370+P378, P405, and P501
Signal Word:	Danger

Complexity:	97.1
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	130.02302107
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	130.02302107
Rotatable Bond Count:	0
Topological Polar Surface Area:	20.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2