Productschevron_right
37674-72-9

37674-72-9

6-Chlorochroman-4-one

Synonyms
  • 6-Chlorochroman-4-one
  • 37674-72-9
  • 6-Chloro-4-chromanone
  • 6-chloro-2,3-dihydrochromen-4-one
  • 6-Chloro chroman-4-one
Molecular Formula
C9H7ClO2

Get a free no-obligation quote

We typically respond within 30 minutes during business hours!

call
email
science

Identifying information of the product such as name, CAS number, structure or description

description

Approx. quantity, purity, specifications, monthly order or one-off etc

Molecular Formula
C9H7ClO2
Iupac Name
6-chloro-2,3-dihydrochromen-4-one
Dtp Nci Cas Number
37674-72-9
Canonical Smiles
C1COC2=C(C1=O)C=C(C=C2)Cl
StdInChi
InChI=1S/C9H7ClO2/c10-6-1-2-9-7(5-6)8(11)3-4-12-9/h1-2,5H,3-4H2
StdInChiKey
LLTDYHFVIVSQPJ-UHFFFAOYSA-N
Appearance
Light yellow crystalline solid
Molecular Weight
182.60
Exact Mass
182.0134572
Average Mass
182.604 Da
Monoisotopic Mass
182.0134572
Boiling Point
322.0±42.0 °C at 760 mmHg
Experimental Boiling Point
313.6 °C
Experimental Melting Point
101-102 °C
Flash Point
149.7±26.9 °C
Density
1.3±0.1 g/cm3
Vapour Pressure
0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization
56.4±3.0 kJ/mol
Refractive Index
1.578
Molar Refractivity
45.1±0.3 cm3
Polar Surface Area
26.3 Ų
Polarizability
17.9±0.5 10-24cm3
Surface Tension
46.9±3.0 dyne/cm
Molar Volume
135.8±3.0 cm3
Experimental Logp
1.048
xLogP3AA
2
Acd LogP
2.93
Acd LogD Ph55
2.61
Acd Bcf Ph55
57.01
Acd Koc Ph55
628.84
Acd LogD Ph74
2.61
Acd Bcf Ph74
57.01
Acd Koc Ph74
628.84
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
0
Heavy Atom Count
12
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
H Bond Acceptors
2
H Bond Donors
0
Freely Rotating Bonds
0
Rule of 5 Violations
0
Formal Charge
0
Complexity
193
Compound is Canonicalized
Yes

Related Article(s)

Chloromethyl: compounds, synthesis and safetyJun 11, 2023

Chloromethyl: compounds, synthesis and safety

In the field of organic chemistry, a functional group known as the chloromethyl group (CH2Cl) can be found. In the formula for the methyl group (CH3), one hydrogen atom was replaced with a chlorine atom, which resulted in the creation of a new chemical entity that was subsequently given a new name.

Chlorides: Structure, primary types and applicationsAug 5, 2022

Chlorides: Structure, primary types and applications

Chlorides are the negatively charged ions formed by chlorine (Cl-). To this end, chlorides are widely defined as any material containing chlorine. This category includes chlorine salts and acids such as hydrochloric acid.

Ketones: Nomenclature, classification, biochemical significance, applications and toxicityJul 26, 2022

Ketones: Nomenclature, classification, biochemical significance, applications and toxicity

Ketones are a group of organic compounds that have a carbonyl group that is a link between oxygen and carbon. They are present in sugars and pharmaceutical chemicals, like steroid hormones.

Aromatic Heterocycles: Introduction, classification and applicationsJul 20, 2022

Aromatic Heterocycles: Introduction, classification and applications

An aromatic heterocycle is a type of cyclic compound that has more than just carbon in it. Most heterocyclic molecules have carbon and other elements like nitrogen, oxygen, or sulphur in their structure.

Chlorobenzene: Synthesis, applications and safety hazardsJun 22, 2022

Chlorobenzene: Synthesis, applications and safety hazards

Chlorobenzene is an aromatic organic compound with the chemical formula C6H5Cl. It is a flammable liquid that has a clear appearance and smells like almonds to some extent.it is soluble in water but at a lower temperature.