3-Bromocinnamic acid, predominantly trans - CAS 32862-97-8
Catalog: |
BB021443 |
Product Name: |
3-Bromocinnamic acid, predominantly trans |
CAS: |
32862-97-8 |
Synonyms: |
(E)-3-(3-bromophenyl)prop-2-enoic acid |
IUPAC Name: | (E)-3-(3-bromophenyl)prop-2-enoic acid |
Description: | 3-Bromocinnamic acid, predominantly trans (CAS# 32862-97-8) is a useful research chemical. |
Molecular Weight: | 227.05 |
Molecular Formula: | C9H7BrO2 |
Canonical SMILES: | C1=CC(=CC(=C1)Br)C=CC(=O)O |
InChI: | InChI=1S/C9H7BrO2/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-6H,(H,11,12)/b5-4+ |
InChI Key: | YEMUSDCFQUBPAL-SNAWJCMRSA-N |
Boiling Point: | 344.1 ℃ at 760 mmHg |
Melting Point: | 178-182 ℃ |
Purity: | 95 % |
Density: | 1.607 g/cm3 |
Appearance: | Colorless crystal |
Storage: | Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. |
MDL: | MFCD00004382 |
LogP: | 2.54690 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
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Complexity: | 189 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 225.96294 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 225.96294 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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