3,4-Dichlorocinnamic acid - CAS 1202-39-7
Catalog: |
BB004760 |
Product Name: |
3,4-Dichlorocinnamic acid |
CAS: |
1202-39-7 |
Synonyms: |
2-Propenoic acid, 3-(3,4-dichlorophenyl)-; 3-(3,4-Dichlorophenyl)-2-propenoic acid; Cinnamic acid, 3,4-dichloro-; 3-(3,4-Dichlorophenyl)acrylic acid; NSC 518800 |
Related CAS: | 7312-27-8 (2E-isomer)
|
IUPAC Name: | 3-(3,4-dichlorophenyl)prop-2-enoic acid |
Molecular Weight: | 217.05 |
Molecular Formula: | C9H6Cl2O2 |
Canonical SMILES: | C1=CC(=C(C=C1C=CC(=O)O)Cl)Cl |
InChI: | InChI=1S/C9H6Cl2O2/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5H,(H,12,13) |
InChI Key: | RRLUFPHCTSFKNR-UHFFFAOYSA-N |
Boiling Point: | 366.6±32.0°C at 760 mmHg |
Melting Point: | 217.2-218.2°C |
Purity: | ≥95% |
Density: | 1.457±0.06 g/cm3 |
Solubility: | Soluble in Ethanol |
Appearance: | White to Off-white Powder to Crystalline Powder |
Storage: | Store at RT |
MDL: | MFCD00004385 |
LogP: | 3.09120 |
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 |
CN-113416199-A | Lycorine beta-aryl acrylate derivative and preparation method and application thereof | 20210720 |
CN-112876365-A | Methyl rupestonic acid derivative containing cinnamoyl and preparation method and application thereof | 20210220 |
CN-112608275-A | Application of 2, 8-bis (trifluoromethyl) -4-hydroxyquinoline derivative in preparation and prevention and treatment of agricultural diseases | 20201229 |
CN-109725089-A | The gas chromatography-mass spectrometry of three kinds of halogenated cinnamic acids of trace in a kind of measurement rice | 20190316 |
CN-109725089-B | Gas chromatography-mass spectrometry combined method for determining three trace halogenated cinnamic acids in rice | 20190316 |
Complexity: | 216 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 215.9744848 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 215.9744848 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.1 |
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