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Chemical Product CAS:121-71-13'-Hydroxyacetophenone

CAS:121-71-1
3'-Hydroxyacetophenone

  • CAS No:

    121-71-1
  • Name:

    3'-Hydroxyacetophenone
  • Molecular Formula:

    C8H8O2
  • Molecular Weight:

    136.15
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3'-Hydroxyacetophenone ( CASNO:121-71-1 )

Identification and Related Records
Name:
3'-Hydroxyacetophenone
CAS Registry number:
121-71-1
Iupac name:
1-(3-hydroxyphenyl)ethanone
Synonyms:
Ethanone, 1-(3-hydroxyphenyl)-
m-Acetylphenol
Ethanone, 1- (3-hydroxyphenyl)-
1-(3-Hydroxyphenyl)ethan-1-one
3-Hydroxy acetophenone
Acetophenone, 3-hydroxy- (8CI)
1-(3-hydroxyphenyl)ethanone
m-Hydroxyacetophenone
Acetophenone, 3-hydroxy-
EINECS(EC#):
204-494-0
Molecular Formula:
C8H8O2
Molecular Weight:
136.15
Inchi:
InChI=1/C8H8O2/c1-6(9)7-3-2-4-8(10)5-7/h2-5,10H,1H3
InChIKey:
LUJMEECXHPYQOF-UHFFFAOYSA-N
Canonical SMILES:
CC(=O)C1=CC(=CC=C1)O
Chemical and Physical Properties
Appearance:
white crystal powder
Density:
1.1
Melting Point:
94-97℃
Boiling Point:
296℃
Refractive Index:
1,534
Flash Point:
296 oC
Solubilities:
Very soluble
Stability:
Stable at room temperature in closed containers under normal storage and handling conditions.
Storage temp:
Store in a cool, dry place. Keep container closed when not in use.
Computed Properties:
Molecular Weight:136.14792 [g/mol]
Molecular Formula:C8H8O2
XLogP3:1.4
H-Bond Donor:1
H-Bond Acceptor:2
Rotatable Bond Count:1
Tautomer Count:6
Exact Mass:136.05243
MonoIsotopic Mass:136.05243
Topological Polar Surface Area:37.3
Heavy Atom Count:10
Formal Charge:0
Complexity:131
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 Acceptor Count:1
Feature 3D Donor Count:1
Feature 3D Ring Count:1
Effective Rotor Count:1
Conformer Sampling RMSD:0.4
CID Conformer Count:4
Safety and Handling
Hazard Codes:
Xi:Irritant
Risk Statements:
R36/37/38
Safety Statements:
S26;S37/39
Hazard Note:
Harmful/Irritant
Safety:
Safety Information of 3-Hydroxy acetophenone (CAS No.121-71-1):
Hazard Codes:?HarmfulXn,IrritantXi
Risk Statements: 22-36/37/38?
R22:Harmful if swallowed.?
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 22-24/25-37/39-26-36?
S22:Do not breathe dust.?
S24/25:Avoid contact with skin and eyes.?
S37/39:Wear suitable gloves and eye/face protection.?
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.?
S36:Wear suitable protective clothing.
WGK Germany: 3
Hazard Note: Harmful/Irritant
Specification:
?? 3-Hydroxy acetophenone (CAS No.121-71-1), it also can be called m-Hydroxyacetophenone ; 3-Acetylphenol ; 1-(3-Hydroxyphenyl)ethanon ; Ethanone, 1- (3-hydroxyphenyl)- ; m-Acetylphenol ; 1-(3-Hydroxyphenyl)Ethan-1-One . It is beige-brown crystalline powder.
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