MALONONITRILE, (5-CHLORO-2-HYDROXYBENZYLIDENE)- 5348-77-6 CAS NO.5348-77-6

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Product Details

Keywords

MALONONITRILE, (5-CHLORO-2-HYDROXYBENZYLIDENE)-
5348-77-6
C10H5ClN2O

Quick Details

ProName: MALONONITRILE, (5-CHLORO-2-HYDROXYBENZ...
CasNo: 5348-77-6
Molecular Formula: C10H5ClN2O
Appearance: Solid
Application: Organic Chemicals
DeliveryTime: As client's demand quantity
PackAge: as requested
Port: SHANGHAI
ProductionCapacity: 100 Kilogram/Month
Purity: 99%
Storage: room temperature
Transportation: as requested
LimitNum: 1 Gram
Heavy metal: N/A
Grade: Industrial Grade

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Details

Identification and Related Records
【Name】
(5-chloro-2-hydroxybenzylidene)propanedinitrile
【Iupac name】
2-[(5-chloro-2-hydroxyphenyl)methylidene]propanedinitrile
【CAS Registry number】
5348-77-6
【Synonyms】
(5-Chloro-2-hydroxybenzylidene)malononitrile
2-(5-Chloro-2-hydroxybenzylidene)malononitrile
propanedinitrile, 2-[(5-chloro-2-hydroxyphenyl)methylene]-
【Molecular Formula】
C10H5ClN2O (Products with the same molecular formula)
【Molecular Weight】
204.6125
【Inchi】
InChI=1/C10H5ClN2O/c11-9-1-2-10(14)8(4-9)3-7(5-12)6-13/h1-4,14H
【Canonical SMILES】
C1=CC(=C(C=C1Cl)C=C(C#N)C#N)O
【MOL File】
5348-77-6.mol
Chemical and Physical Properties
【Density】
1.422g/cm3
【Boiling Point】
395.2°C at 760 mmHg
【Refractive Index】
1.661
【Flash Point】
192.8°C
【Computed Properties】
Molecular Weight:204.6125 [g/mol]
Molecular Formula:C10H5ClN2O
XLogP3-AA:2.3
H-Bond Donor:1
H-Bond Acceptor:3
Rotatable Bond Count:1
Tautomer Count:3
Exact Mass:204.009041
MonoIsotopic Mass:204.009041
Topological Polar Surface Area:67.8
Heavy Atom Count:14
Formal Charge:0
Complexity:315
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:2
Feature 3D Donor Count:1
Feature 3D Ring Count:1
Effective Rotor Count:1
Conformer Sampling RMSD:0.4
CID Conformer Count:4

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