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32348-81-5 molecular structure
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4-benzamido-5-chloro-2-methylbenzene-1-diazonium chloride

ChemBase ID: 104999
Molecular Formular: C14H11Cl2N3O
Molecular Mass: 308.16264
Monoisotopic Mass: 307.02791735
SMILES and InChIs

SMILES:
[Cl-].Cc1cc(NC(=O)c2ccccc2)c(Cl)cc1[N+]#N
Canonical SMILES:
N#[N+]c1cc(Cl)c(cc1C)NC(=O)c1ccccc1.[Cl-]
InChI:
InChI=1S/C14H10ClN3O.ClH/c1-9-7-13(11(15)8-12(9)18-16)17-14(19)10-5-3-2-4-6-10;/h2-8H,1H3;1H
InChIKey:
SARKXLKWFKNUMR-UHFFFAOYSA-N

Cite this record

CBID:104999 http://www.chembase.cn/molecule-104999.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-benzamido-5-chloro-2-methylbenzene-1-diazonium chloride
IUPAC Traditional name
4-benzamido-5-chloro-2-methylbenzenediazonium chloride
Synonyms
5-Chloro-4-benzamido-2-methylbenzenediazonium chloride hemi(zinc chloride) salt
Fast Red Violet LB Salt
5-Chloro-4-benzamido-2-methylbenzenediazonium chloride, hemi[zinc chloride] salt
FAST RED VIOLET LB SALT
CAS Number
32348-81-5
MDL Number
MFCD00011892
PubChem SID
24894842
162093306
PubChem CID
16219357

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 16219357 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 7.8780484  H Acceptors
H Donor LogD (pH = 5.5) 4.1185627 
LogD (pH = 7.4) 5.2341123  Log P 4.01909 
Molar Refractivity 97.0836 cm3 Polarizability 27.916737 Å3
Polar Surface Area 57.25 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Absorption Wavelength
λmax 342 nm expand Show data source
Storage Condition
Room Temperature (15-30°C) expand Show data source
European Hazard Symbols
Harmful Harmful (Xn) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
20/21/22-40 expand Show data source
Safety Statements
22-36 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS08 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H302-H312-H332-H351 expand Show data source
GHS Precautionary statements
P280 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Storage Temperature
-20°C expand Show data source
room temp expand Show data source
Purity
Dye Content ~85% expand Show data source
Compostion
Dye content, ~85% expand Show data source
Dye content, 95% expand Show data source
Certificate of Analysis
Download expand Show data source
Linear Formula
C14H11Cl2N3O · ½ZnCl2 expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 02158029 external link
Dye content: ~85%
Sigma Aldrich - F3381 external link
包装
1, 5 g in glass bottle
100, 250, 500 mg in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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