(E)-3-(5-Bromothiophen-2-YL)acrylic acid
Basic information
- CAS
50868-68-3- Standard SMILES
O=C(O)/C=C/c1ccc(Br)s1- InChIKey
UNAWXLDSXIIUFC-DUXPYHPUSA-N- Molecular formula
- C7H5BrO2S
- Average molar mass
- 233.08 g/mol
- Monoisotopic mass
- 231.91936
Names & identifiers
- Preferred name
- (E)-3-(5-Bromothiophen-2-YL)acrylic acid
- IUPAC
- (E)-3-(5-bromothiophen-2-yl)prop-2-enoic acid
- English name
- (2E)-3-(5-BROMO(2-THIENYL))PROP-2-ENOIC ACID
- Molecular formula
- C7H5BrO2S
- Molecular weight
- 233.08
Names & synonyms
50868-68-3(E)-3-(5-BROMOTHIOPHEN-2-YL)ACRYLIC ACID29079-97-83-(5-Bromothiophen-2-yl)acrylic acid(2E)-3-(5-bromo(2-thienyl))prop-2-enoic acidMFCD03002751(2E)-3-(5-bromothiophen-2-yl)prop-2-enoic acid(2E)-3-(5-Bromo-2-thienyl)-2-propenoic acid(E)-3-(5-bromothiophen-2-yl)prop-2-enoic acid2-Propenoic acid, 3-(5-bromo-2-thienyl)-3-(5-Bromo-2-thienyl)-2-propenoic acid(2E)-3-(5-bromothien-2-yl)acrylic acid
Show more names
(E)-3-(5-Bromothiophen-2-yl)acrylic aci(E)-3-(5-bromo-2-thienyl)-2-propenoic acid(2E)-3-(5-Bromo-thiophen-2-yl)-acrylic acid2-Propenoic acid, 3-(5-bromo-2-thienyl)-, (2E)-
HMS1788H09(E)-3-(5-bromo-2-thienyl)prop-2-enoic acidRARECHEM BK HC S239SCHEMBL1775432UNAWXLDSXIIUFC-DUXPYHPUSA-NACA86868BBL035957STL444444
Database identifiers
- CAS
50868-68-3- PubChem CID
- 2059999
- EC Number
- 187-517-6
- Nikkaji
- J1.404.541D
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 65.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 181
Physicochemical properties
- Boiling point
- 350.1 · 350.1±32.0 °C(Predicted)
- Density
- 1.783 · 1.783±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C, stored under nitrogen
- pka
- 4.03 · 4.03±0.10(Predicted)
- Appearance
- Light brown to brown Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H312-H332
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501
- HS Code
- 2934999090 · 2934999090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2934999090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H312-H332
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501
Suppliers
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Related reactions
2 records
Compound notes
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