2-Chlorobenzoic acid vinyl ester
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
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.
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].
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
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
3
Exact Mass
182.0134572 g/mol
Monoisotopic Mass
182.0134572 g/mol
Topological Polar Surface Area
26.3Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
179
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
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 |
