(2E)-3-(5-bromofuran-2-yl)prop-2-enoic acid
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Basic information
- CAS
111252-31-4- Standard SMILES
O=C(O)/C=C/c1ccc(Br)o1- InChIKey
IIMYTCICBUBFJH-DUXPYHPUSA-N- Molecular formula
- C7H5BrO3
- Average molar mass
- 217.02 g/mol
- Monoisotopic mass
- 215.94221
Names & identifiers
- Preferred name
- (2E)-3-(5-bromofuran-2-yl)prop-2-enoic acid
- IUPAC
- (E)-3-(5-bromofuran-2-yl)prop-2-enoic acid
- English name
- 111252-31-4
- Molecular formula
- C7H5BrO3
- Molecular weight
- 217.02
Names & synonyms
111252-31-4(2E)-3-(5-bromofuran-2-yl)prop-2-enoic acidRefChem:396522851-295-564154-10-5(E)-3-(5-BROMOFURAN-2-YL)ACRYLIC ACID3-(5-Bromo-furan-2-yl)-acrylic acidMFCD027082323-(5-bromofuran-2-yl)prop-2-enoic acid(E)-3-(5-bromofuran-2-yl)prop-2-enoic acid3-(5-bromofuran-2-yl)acrylic acid(2E)-3-(5-bromofuran-2-yl)prop-2-enoic acid, E
Show more names
(2E)-3-(5-bromo-2-furanyl)-2-Propenoic acid2-Propenoic acid, 3-(5-bromo-2-furanyl)-, (2E)-(E)-3-(5-Bromofuran-2-yl)acrylic acid - [B90440]
(E)-3-(5-Bromo-2-furanyl)acrylic Acidtrans-3-(5-bromofuran-2-yl)propenoic acid2-Propenoic acid, 3-(5-bromo-2-furanyl)-CHEMBL1771762SCHEMBL14300686HMS1397F073-(5-Bromo-2-furanyl)acrylic AcidSTK547592
Database identifiers
- CAS
111252-31-4- PubChem CID
- 946089
- ChEMBL
CHEMBL1771762- EC Number
- 851-295-5
Properties
Computed structural propertiesFilling in
- XLogP
- 1.5
- Topological polar surface area
- 50.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 179
Physicochemical properties
- storage temp.
- 2 · Storage temp. 2-8°C
- Appearance
- Light yellow to brown Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H302-H335-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H302-H335-H319
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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