CAS 102601-62-7|bis(4-benzamido-2-chloro-5-methylbenzenediazonium) zinc chloride dichloride|2-Chloro-4-benzamido-5-methylbenzenediazonium chloride hemi(zinc chloride) salt|bis(4-benzamido-2-chloro-5...

Molecular Formula

C₂₈H₂₂Cl₆N₆O₂Zn

Molecular Mass

752.61128

Exact Mass

747.92268205

InChI

InChI=1S/2C14H10ClN3O.4ClH.Zn/c2*1-9-7-13(18-16)11(15)8-12(9)17-14(19)10-5-3-2-4-6-10;;;;;/h2*2-8H,1H3;4*1H;/q;;;;;;+2/p-2

InChIKey

IVOFXIDUIYHLQW-UHFFFAOYSA-L

Canonic Smiles

N#[N+]c1cc(C)c(cc1Cl)NC(=O)c1ccccc1.N#[N+]c1cc(C)c(cc1Cl)NC(=O)c1ccccc1.Cl[Zn]Cl.[Cl-].[Cl-]

Isomeric Smiles

Cc1cc(c(cc1NC(=O)c1ccccc1)Cl)[N+]#N.Cc1cc(c(cc1NC(=O)c1ccccc1)Cl)[N+]#N.[Cl-].[Cl-].Cl[Zn]Cl

JChem

Acid pKa

8.297519

H Acceptors

H Donor

LogD (pH = 5.5)

4.0597844

LogD (pH = 7.4)

4.9187474

Log P

4.01909

Molar Refractivity

97.0836

Polarizability

27.964602

Polar Surface Area

57.25

Rotatable Bonds

Lipinski's Rule of Five

false

Commercial Catalog

Academic Data

IUPAC Traditional name

bis(4-benzamido-2-chloro-5-methylbenzenediazonium) zinc chloride dichloride

Synonyms

2-Chloro-4-benzamido-5-methylbenzenediazonium chloride hemi(zinc chloride) salt2-氯-4-苯甲酰氨基-5-甲苯重氮氯化物半(氯化锌) 盐

IUPAC name

bis(4-benzamido-2-chloro-5-methylbenzene-1-diazonium) dichlorozinc dichloride

CAS Number

PubChem SID

MDL Number

PubChem CID

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

German water hazard class

GHS Signal Word

Warning

European Hazard Symbols

Harmful (Xn)

Risk Statements

20/21/22-40

GHS Precautionary statements

P280

Safety Statements

22-36

GHS Pictograms

Acute toxicity (oral, dermal, inhalation), category 4

Skin irritation, category 2

Eye irritation, category 2

Skin sensitisation, category 1

Specific Target Organ Toxicity – Single exposure, category 3

Respiratory sensitization, category 1

Germ cell mutagenicity, categories 1A,1B,2

Carcinogenicity, categories 1A,1B,2

Reproductive toxicity, categories 1A,1B,2

Specific Target Organ Toxicity – Single exposure, categories 1,2

Specific Target Organ Toxicity – Repeated exposure, categories 1,2

Aspiration Hazard, category 1

Storage Temperature

-20°C

GHS Hazard statements

H302-H312-H332-H351

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Sigma Aldrich

C5272

Other Notes
固红紫 LB 盐异构体

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Commercial Catalog

Academic Data

IUPAC Traditional name

bis(4-benzamido-2-chloro-5-methylbenzenediazonium) zinc chloride dichloride

Synonyms

2-Chloro-4-benzamido-5-methylbenzenediazonium chloride hemi(zinc chloride) salt2-氯-4-苯甲酰氨基-5-甲苯重氮氯化物半(氯化锌) 盐

IUPAC name

bis(4-benzamido-2-chloro-5-methylbenzene-1-diazonium) dichlorozinc dichloride

CAS Number

PubChem SID

MDL Number

PubChem CID

C5272

Other Notes
固红紫 LB 盐异构体

No Data Available

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Safety Information

Molecule

ID:130594