Cyclopentanecarboxylicacid, 3-(hydroxyimino)-, [S-(Z)]- (9CI)

Iupac Name：calcium;dichloride;dihydrate

CAS No.：10035-04-8

Molecular Weight：110.984

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1. Names and Identifiers

1.1 Name: Cyclopentanecarboxylicacid, 3-(hydroxyimino)-, [S-(Z)]- (9CI)
1.2 Synonyms: (s,z)-3-(hydroxyimino)cyclopentanecarboxylic acid AK441155 AKOS027400905 cyclopentanecarboxylic acid, 3-(hydroxyimino)-, [s-(z)]- (9ci) ZINC31628365

1.3 CAS No.: 10035-04-8

1.4 CID: 6093260

1.5 Molecular Formula: C₆H₉NO₃ (isomer)

1.6 Inchi: InChI=1/Ca.2ClH.2H2O/h;2*1H;2*1H2/q+2;;;;/p-2

1.7 InChkey: LLSDKQJKOVVTOJ-UHFFFAOYSA-L

1.8 Canonical Smiles: O.O.[Cl-].[Cl-].[Ca+2]

1.9 Isomers Smiles: O.O.[Cl-].[Cl-].[Ca+2]

2. 3D Conformer

3. Properties

3.1 Melting Point: 175℃

3.2 Refractive Index: 1.531

4. Safety and Handling

4.1 Risk Statements: R36

4.2 Safety Statements: S22;S24

5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

Eye irritation, Category 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word	Warning
Hazard statement(s)	H302 Harmful if swallowed H319 Causes serious eye irritation
Precautionary statement(s)
Prevention	P264 Wash ... thoroughly after handling. P270 Do not eat, drink or smoke when using this product. P280 Wear protective gloves/protective clothing/eye protection/face protection.
Response	P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/\u2026if you feel unwell. P330 Rinse mouth. P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. P337+P313 If eye irritation persists: Get medical advice/attention.
Storage	none
Disposal	P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

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6. Computational chemical data

Molecular Weight：110.984g/mol
Molecular Formula：C_₆H_₉NO_₃
Exact Mass：109.900297
Monoisotopic Mass：109.900297
Complexity：2.8
Rotatable Bond Count：0
Hydrogen Bond Donor Count：0
Hydrogen Bond Acceptor Count：2
Topological Polar Surface Area：0
Heavy Atom Count：3
Defined Atom Stereocenter Count：0
Undefined Atom Stereocenter Count：0
Defined Bond Stereocenter Count：0
Undefined Bond Stereocenter Count：0
Isotope Atom Count：0
Covalently-Bonded Unit Count：3

7. Similar Structures Products

8. Question & Answer

How many grams of CaCl2 are needed to make 200 mL of a 0.500 M Cl- solution? (Note: CaCl2 is a soluble salt. Aug 26 2021
0.200 L X 0.500 mol/L Cl- X (1 mol CaCl2 / 2 mol Cl-) X 111.0 g/mol CaCl2 = 5.55 g CaCl2
Using the limiting reactant, 0.147, how many grams of CaCl2 will be produced? Jul 10 2021
Your question doesn’t state what reactant is the limiting one nor what is 0.147, what, grams, moles? Unable to answer without this information
Pyrolysis of calcium chloride dihydrate Jul 04 2021
Does the pyrolysis of C a C l X 2 ⋅ 2 H X 2 O " style="position: relative;" tabindex="0" id="MathJax-Element-2-Frame" class="MathJax" C a C l X 2 ? 2 H X 2 O C a C l X 2 ? 2 H X 2 O give C a C l X 2 + 2 H X 2 O " style="position: relative;" tabindex="0" id="MathJax-Element-3-Frame" class...

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