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  • 2,3,5-trifluorophenol  2268-15-7
Name:2,3,5-trifluorophenol 2268-15-7
CAS No:2268-15-7

PRODUCT DESCRIPTION

Names and Identifiers
Synonyms

2 3 5-trifluorophenol 98%2,3,5-Trifluorophenol2,3,5-trifluorophenol98%2,3,5-tris(fluoranyl)phenolA816308AJ-20907AN-50631AS05513CM11806DB-010880DTXSID30369839EBD15187FC1181FT-0081634I01-7486intermediates-zcf02612JNZQXSIWHRRMNO-UHFFFAOYSA-Nmfcd00075416MOLPORT-000-159-198OR039786OR186488SC-50726SCHEMBL363803ST24038488ST50824112TC-147351ZINC389682

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Inchi
InChI=1S/C6H3F3O/c7-3-1-4(8)6(9)5(10)2-3/h1-2,10H
InChkey
JNZQXSIWHRRMNO-UHFFFAOYSA-N
Canonical Smiles
C1=C(C=C(C(=C1F)F)O)F
Properties
Appearance
clear light yellow liquid after melting
Density
1.457
Melting Point
29 °C(lit.)
Boiling Point
57 °C29 mm Hg(lit.)
Refractive Index
1.462
Flash Point
54 ºC
HS Code
29081000
Storage temp
Flammables area
Safety and Handling
Hazard Codes
Xn
Risk Statements
R10;R20/21/22;R36/37/38
Safety Statements
16-26-27-36/37/39-36-28
HazardClass
4.1
Safety
Hazard Codes Xn,XiRisk Statements 10-20/21/22-36/37/38Safety Statements 16-26-27-36/37/39RIDADR UN 1325 4.1/PG 2 WGK Germany 3 Hazard Note IrritantHazardClass 4.1PackingGroup III
PackingGroup
III
Transport
UN 1325
Specification

The CAS register number of 2,3,5-Trifluorophenol is 2268-15-7. It also can be called as Phenol,2,3,5-trifluoro- and the IUPAC name about this chemical is 2,3,5-trifluorophenol. The molecular formula about this chemical is C6H3F3O and molecular weight is 148.08.

Physical properties about 2,3,5-Trifluorophenol are: (1)ACD/LogP: 2.62; (2)ACD/LogD (pH 5.5): 2.6; (3)ACD/LogD (pH 7.4): 1.86; (4)ACD/BCF (pH 5.5): 54.52; (5)ACD/BCF (pH 7.4): 9.95; (6)ACD/KOC (pH 5.5): 598.91; (7)ACD/KOC (pH 7.4): 109.25; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 9.23Å2; (12)Index of Refraction: 1.471; (13)Molar Refractivity: 28.11 cm3; (14)Molar Volume: 100.4 cm3; (15)Polarizability: 11.14x10-24cm3; (16)Surface Tension: 34.5 dyne/cm; (17)Enthalpy of Vaporization: 39.41 kJ/mol; (18)Boiling Point: 141.3 °C at 760 mmHg; (19)Vapour Pressure: 4.71 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful by inhalation, in contact with skin and if swallowed and it is irritating to eyes, respiratory system and skin, it is also Flammable. When you are using it, wear suitable protective clothing, gloves and eye/face protection, you also need keep away from sources of ignition and take off immediately all contaminated clothing. After contact with skin, wash immediately with plenty of soap-suds. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1cc(F)cc(O)c1F
(2)InChI: InChI=1/C6H3F3O/c7-3-1-4(8)6(9)5(10)2-3/h1-2,10H
(3)InChIKey: JNZQXSIWHRRMNO-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C6H3F3O/c7-3-1-4(8)6(9)5(10)2-3/h1-2,10H
(5)Std. InChIKey: JNZQXSIWHRRMNO-UHFFFAOYSA-N

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