Structure

2-(Bromomethyl)acrylic Acid

CAS
72707-66-5
Catalog Number
ACM-MO-72707665
Category
Polymer/Macromolecule; Acrylate Monomers
Molecular Weight
164.99 g/mol
Molecular Formula
C4H5BrO2

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Specification

Synonyms
2-(bromomethyl)-2-propenoic acid; 2-(bromomethyl)prop-2-enoic acid
Canonical SMILES
OC(=O)C(=C)CBr
InChI
1S/C4H5BrO2/c1-3(2-5)4(6)7/h1-2H2,(H,6,7)
InChI Key
NOOYFQLPKUQDNE-UHFFFAOYSA-N
Boiling Point
268.8 °C
Melting Point
70-73 °C
Appearance
Beige Crystalline Solid
Application
Reacts with aldehydes and ketones to form α-methylene-butyrolactones. Used in the synthesis of methotrexate analogues.
Storage
2-8 °C
Assay
98%
EC Number
276-774-0
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MDL Number
MFCD00004259
NACRES
NA.23
Packaging
Packaging
1, 10, 50 g in glass bottle
Physical State
Solid
PubChem ID
24852758
Quality Level
100
Specific Gravity
1.696
Storage Temperature
2-8°C
What is the molecular formula of 2-(Bromomethyl)acrylic acid?

The molecular formula is C4H5BrO2.

What is the molecular weight of 2-(Bromomethyl)acrylic acid?

The molecular weight is 164.99 g/mol.

What is the IUPAC name of 2-(Bromomethyl)acrylic acid?

The IUPAC name is 2-(bromomethyl)prop-2-enoic acid.

What is the InChI of 2-(Bromomethyl)acrylic acid?

The InChI is InChI=1S/C4H5BrO2/c1-3(2-5)4(6)7/h1-2H2,(H,6,7).

What is the InChIKey of 2-(Bromomethyl)acrylic acid?

The InChIKey is NOOYFQLPKUQDNE-UHFFFAOYSA-N.

What is the canonical SMILES of 2-(Bromomethyl)acrylic acid?

The canonical SMILES is C=C(CBr)C(=O)O.

What is the CAS number of 2-(Bromomethyl)acrylic acid?

The CAS number is 72707-66-5.

What is the EC number of 2-(Bromomethyl)acrylic acid?

The EC number is 276-774-0.

What is the DSSTox Substance ID of 2-(Bromomethyl)acrylic acid?

The DSSTox Substance ID is DTXSID30223008.

Is 2-(Bromomethyl)acrylic acid a canonicalized compound?

Yes, it is canonicalized.

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