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Chemical Product CAS:2713-34-03,5-Difluorophenol

CAS:2713-34-0
3,5-Difluorophenol

  • CAS No:

    2713-34-0
  • Name:

    3,5-Difluorophenol
  • Molecular Formula:

    C6H4F2O
  • Molecular Weight:

    130.09
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3,5-Difluorophenol ( CASNO:2713-34-0 )

Identification and Related Records
Name:
3,5-Difluorophenol
CAS Registry number:
2713-34-0
Iupac name:
3,5-difluorophenol
Synonyms:
3,5-DIFLUOROPHENOL
Phenol,3,5-difluoro-
3,5-Difluorophenol,98+%
3,5-Difluorophenol 99%
3,5-Difluorophenol99%
Molecular Formula:
C6H4F2O
Molecular Weight:
130.09
Inchi:
InChI=1/C6H4F2O/c7-4-1-5(8)3-6(9)2-4/h1-3,9H
InChIKey:
HJSSBIMVTMYKPD-UHFFFAOYSA-N
Canonical SMILES:
C1=C(C=C(C=C1F)F)O
Chemical and Physical Properties
Appearance:
off-white crystals
Density:
1.351 g/cm3
Melting Point:
51-55℃
Boiling Point:
175.4 °C at 760 mmHg
Vapour:
1.11E-06mmHg at 25°C
Refractive Index:
1.589
Flash Point:
70℃
HS Code:
29081000
Storage temp:
Flammables area
Computed Properties:
Molecular Weight:130.092166 [g/mol]
Molecular Formula:C6H4F2O
XLogP3-AA:1.8
H-Bond Donor:1
H-Bond Acceptor:3
Rotatable Bond Count:0
Tautomer Count:2
Exact Mass:130.023021
MonoIsotopic Mass:130.023021
Topological Polar Surface Area:20.2
Heavy Atom Count:9
Formal Charge:0
Complexity:87.1
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Donor Count:1
Feature 3D Ring Count:1
Effective Rotor Count:0
Conformer Sampling RMSD:0.4
CID Conformer Count:1
Safety and Handling
Hazard Codes:
C:Corrosive
Risk Statements:
R11;R20/21/22;R34
Safety Statements:
S16;S26;S36/37/39;S45
HazardClass:
6.1
Hazard Note:
Harmful
Safety:
Hazard Codes:Xn,Xi,C,F
Risk Statements:20/21/22-36/37/38-34-11
20/21/22:Harmful by inhalation, in contact with skin and if swallowed
36/37/38:Irritating to eyes, respiratory system and skin
34:Causes burns
11:Highly Flammable
Safety Statements:26-36-45-36/37/39-16
26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36:Wear suitable protective clothing
45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible)
36/37/39:Wear suitable protective clothing, gloves and eye/face protection
16:Keep away from sources of ignition - No smoking
RIDADR:UN 1325 4.1/PG 2
WGK Germany:3
HazardClass:6.1
PackingGroup:III
Hazard Note:Harmful
HS Code:29081000
PackingGroup:
III
Transport:
UN 1325
Specification:

white to beige crystals
Safety Statements:26-36-45-36/37/39-16
26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36:Wear suitable protective clothing
45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible)
36/37/39:Wear suitable protective clothing, gloves and eye/face protection
16:Keep away from sources of ignition - No smoking
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