2-Chlorobenzoic acid vinyl ester

Inquiry

Molecular Formula:

C9H7ClO2

Molecular Weight:

182.6

CAS Number:

15721-27-4

Catalog Number:

15721-27-4

Product Information

Molecular Formula:

C9H7ClO2

Molecular Weight:

182.6

Description

2-Chlorobenzoic acid vinyl ester is an important pharmaceutical intermediate commonly used in the synthesis of various drugs. It's specifically beneficial in the production of medications used to treat a variety of cardiovascular and metabolic diseases.

Synonyms

2-Chlorobenzoic Acid Vinyl Ester (stabilized with HQ)

IUPAC Name

ethenyl 2-chlorobenzoate

Canonical SMILES

C=COC(=O)C1=CC=CC=C1Cl

InChI

InChI=1S/C9H7ClO2/c1-2-12-9(11)7-5-3-4-6-8(7)10/h2-6H,1H2

InChI Key

ZJIHUSWGELHYBJ-UHFFFAOYSA-N

Boiling Point

130 °C/16 mmHg

Flash Point

127 °C

Purity

>98.0%(GC)

Density

1.22

Appearance

Colorless to Light orange to Yellow clear liquid

Refractive Index

1.54

Safety Information

Hazards

H315:
Causes skin irritation.
H319:
Causes serious eye irritation.

Precautionary Statement

P264:
Wash thoroughly after handling.
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352:
IF ON SKIN:
Wash with plenty of soap and water.
P332+P313:
If skin irritation occurs:
Get medical advice/attention.
P337+P313:
If eye irritation persists:
Get medical advice/attention.
P362+P364:
Take off contaminated clothing. [As modified by IV ATP].
And wash it before reuse. [Added by IV ATP].

Computed Properties

XLogP3

2.9

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

182.0134572 g/mol

Monoisotopic Mass

182.0134572 g/mol

Topological Polar Surface Area

26.3Å²

Heavy Atom Count

Formal Charge

Complexity

179

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

Patents

Publication Number	Title	Priority Date
CN-111826022-A	UV (ultraviolet) photocuring high-corrosion-resistance and high-sensitivity liquid photosensitive ink and preparation method thereof	2020-07-11
CN-113885297-A	Photosensitive composition, cured product, method for producing cured film, and resin	2020-07-03
JP-2022013302-A	Photosensitive composition, cured product, method for producing cured film, and resin	2020-07-03
KR-20220004566-A	Photosensitive composition, cured product, manufacturing method for cured film and resin	2020-07-03
JP-2020152922-A	Fine particle-containing composition	2020-06-24
JP-6861313-B2	Fine particle-containing composition	2020-06-24
WO-2021220919-A1	Method for producing surface-modified metal oxide microparticles, method for producing surface-modified metal oxide microparticle dispersion, and method for producing solid product	2020-05-01
WO-2021220920-A1	Method for producing surface-modified metal oxide microparticles, surface-modified metal oxide microparticles, surface-modified metal oxide microparticle dispersion, solid product, method for producing surface-modified metal oxide microparticle dispersion, and method for producing solid product	2020-05-01
CN-113515010-A	Photosensitive composition, method for producing patterned cured film, and patterned cured film	2020-04-10
CN-113515011-A	Photosensitive composition, method for producing patterned cured film, and patterned cured film	2020-04-10

The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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