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3,3-Dibromoacrylicacid

3,3-Dibromoacrylicacid structure

CAS No:
1578-21-8
Formula:
C3H2Br2O2
Chemical Name:
3,3-Dibromoacrylicacid
Synonyms:
3,3-Dibromoacrylic acid;3,3-Dibromoprop-2-enoic acid;3,3-dibromopropenoic acid;3,3-dibromo-2-propenoic acid;2-Propenoic acid, 3,3-dibromo-;MLS001076242;CHEMBL1521683;SCHEMBL11689457;CTK8H1105;VWWPGQPTCCQNIO-UHFFFAOYSA-
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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3,3-Dibromoacrylicacid Basic Attributes

Molecular Weight：

229.855

Exact Mass：

227.842133

DSSTox ID：

DTXSID30532001

HScode：

2916190090

Characteristics

PSA：

37.30000

XLogP3：

1.07

Density：

2.5±0.1 g/cm3

Boiling Point：

244.5±20.0 °C at 760 mmHg

Flash Point：

101.7±21.8 °C

Refractive Index：

1.630

Water Solubility：

0.15 M

3,3-Dibromoacrylicacid Use and Manufacturing

Use Classification：

Fatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Halogenated fatty acids [FA0109]

Computed Properties

Molecular Weight:229.85
XLogP3:1.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:229.84011
Monoisotopic Mass:227.84215
Topological Polar Surface Area:37.3
Heavy Atom Count:7
Complexity:104
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes