2-Chlorocinnamoyl chloride - CAS 35086-82-9
Catalog: |
BB022416 |
Product Name: |
2-Chlorocinnamoyl chloride |
CAS: |
35086-82-9 |
Synonyms: |
(E)-3-(2-chlorophenyl)prop-2-enoyl chloride |
IUPAC Name: | (E)-3-(2-chlorophenyl)prop-2-enoyl chloride |
Description: | 2-Chlorocinnamoyl chloride (CAS# 35086-82-9) is a useful research chemical. |
Molecular Weight: | 201.05 |
Molecular Formula: | C9H6Cl2O |
Canonical SMILES: | C1=CC=C(C(=C1)C=CC(=O)Cl)Cl |
InChI: | InChI=1S/C9H6Cl2O/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6H/b6-5+ |
InChI Key: | ZAUFNZFFWDQKPL-AATRIKPKSA-N |
Boiling Point: | 155-160 °C / 12 mmHg |
Melting Point: | 37-39 °C |
Purity: | 95 % |
Density: | 1.332 g/cm3 |
MDL: | MFCD00039311 |
LogP: | 3.11860 |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-105412984-A | Albumen-carrying 3D tissue engineering scaffold and preparation method thereof | 20151218 |
CN-104066724-B | P2X4 receptor antagonists | 20120113 |
EP-2803662-A1 | P2x4 receptor antagonist | 20120113 |
EP-2803662-B1 | P2x4 receptor antagonist | 20120113 |
US-10633349-B2 | P2X4 receptor antagonist | 20120113 |
Complexity: | 189 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 199.9795702 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 199.9795702 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 17.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.5 |
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