2,6-Dichlorocinnamic Acid, predominantly trans - CAS 5345-89-1
Catalog: |
BB028229 |
Product Name: |
2,6-Dichlorocinnamic Acid, predominantly trans |
CAS: |
5345-89-1 |
Synonyms: |
(E)-3-(2,6-dichlorophenyl)-2-propenoic acid; (E)-3-(2,6-dichlorophenyl)prop-2-enoic acid |
IUPAC Name: | (E)-3-(2,6-dichlorophenyl)prop-2-enoic acid |
Description: | 2,6-Dichlorocinnamic Acid, predominantly trans (CAS# 5345-89-1) is a useful research chemical. |
Molecular Weight: | 217.05 |
Molecular Formula: | C9H6Cl2O2 |
Canonical SMILES: | C1=CC(=C(C(=C1)Cl)C=CC(=O)O)Cl |
InChI: | InChI=1S/C9H6Cl2O2/c10-7-2-1-3-8(11)6(7)4-5-9(12)13/h1-5H,(H,12,13)/b5-4+ |
InChI Key: | OIPVGRCXMFBNAN-SNAWJCMRSA-N |
Boiling Point: | 420.2 °C at 760 mmHg |
Density: | 1.255 g/cm3 |
LogP: | 3.09120 |
GHS Hazard Statement: | H301 (86.36%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P273, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P391, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-113416199-A | Lycorine beta-aryl acrylate derivative and preparation method and application thereof | 20210720 |
CN-112608275-A | Application of 2, 8-bis (trifluoromethyl) -4-hydroxyquinoline derivative in preparation and prevention and treatment of agricultural diseases | 20201229 |
CN-112338091-A | Punch forming process of aluminum alloy radiating fin | 20201026 |
JP-2021147514-A | Copolymers containing benzotriazole-based UV absorbing units and their compositions | 20200319 |
WO-2021187344-A1 | Copolymer including benzotriazole-based ultraviolet-absorbing unit and composition thereof | 20200319 |
Complexity: | 206 |
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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