1 4-PHENYLENEDIACRYLOYL CHLORIDE TECH

Product Information

Molecular Formula:
C12H8Cl2O2
Molecular Weight:
255.09672
Description
Pentaerythritol propoxylate may be used as a precipitant in reservoir solution for the crystallization of Phosphate Transporter(PiPT) and Aggregation Suppressing Protein A(AgsA). It may also acts as a reservoir solution for Phytosulfokine (PSK)- receptor PSKR- and somatic embryogenesis receptor-like kinases (SERKs) complex.
Synonyms
1,4-Phenylenediacryloyl chloride; 35288-49-4; (E)-3-[4-[(E)-3-chloro-3-oxoprop-1-enyl]phenyl]prop-2-enoyl chloride; 3-[4-(3-CHLORO-3-OXOPROP-1-EN-1-YL)PHENYL]PROP-2-ENOYL CHLORIDE; 3,3'-BEnzene-1,4-diylbisprop-2-enoyl chloride; 1 4-PHENYLENEDIACRYLOYL CHLORIDETECH; 89129-23-7; SCHEMBL2266594; SCHEMBL2266597; MFCD01109676; ZINC68563229; PS-10717; 3,3'-(p-Phenylene)bis(acrylic acid chloride); 3,3'-BEnzene-1,4-diylbisprop-2-enoylchloride; 1,4-Phenylenediacryloyl chloride, technical grade; 2-Propenoyl chloride, 3,3'-(1,4-phenylene)bis-; 3,3'-(p-Phenylene)bis[(E)-acrylic acid chloride]; (2E,2'E)-3,3'-(1,4-phenylene)diacryloyl chloride;
IUPAC Name
(E)-3-[4-[(E)-3-chloro-3-oxoprop-1-enyl]phenyl]prop-2-enoyl chloride
Canonical SMILES
C1=CC(=CC=C1C=CC(=O)Cl)C=CC(=O)Cl
InChI
InChI=1S/C12H8Cl2O2/c13-11(15)7-5-9-1-2-10(4-3-9)6-8-12(14)16/h1-8H/b7-5+,8-6+
InChI Key
WQZLRZFBCIUDFL-KQQUZDAGSA-N
Boiling Point
>300 °C(lit.)
Melting Point
171-172 °C (lit.)
Flash Point
377.6 °F
Purity
95% (GC)
Appearance
powder
Storage
2-8°C
Refractive Index
n20/D 1.464

Safety Information

Hazards
H314
Precautionary Statement
P280 - P305 + P351 + P338 - P310

Computed Properties

XLogP3
3.8
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
4
Exact Mass
253.9901349 g/mol
Monoisotopic Mass
253.9901349 g/mol
Topological Polar Surface Area
34.1Ų
Heavy Atom Count
16
Formal Charge
0
Complexity
281
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
2
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes

Patents

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The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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