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13573-16-5 molecular structure
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ammonium tetrakis(cyanosulfanyl)chromiumuide diamine

ChemBase ID: 102718
Molecular Formular: C4H10CrN7S4
Molecular Mass: 336.4252
Monoisotopic Mass: 335.92855986
SMILES and InChIs

SMILES:
N.N.[NH4+].N#CS[Cr-](SC#N)(SC#N)SC#N
Canonical SMILES:
N#CS[Cr-](SC#N)(SC#N)SC#N.N.N.[NH4+]
InChI:
InChI=1S/4CHNS.Cr.3H3N/c4*2-1-3;;;;/h4*3H;;3*1H3/q;;;;+3;;;/p-3
InChIKey:
ZGLIQORZYPZFPW-UHFFFAOYSA-K

Cite this record

CBID:102718 http://www.chembase.cn/molecule-102718.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ammonium tetrakis(cyanosulfanyl)chromiumuide diamine
IUPAC Traditional name
ammonium tetrakis(cyanosulfanyl)chromiumuide diamine
Synonyms
Ammonium reineckate trihydrate
Ammonium diamminetetrathiocyanatochromate(III)
Reinecke salt
Ammonium tetrathiocyanodiammonium chromate
Ammonium reineckate
REINECKE SALT
Ammonium tetrarhodanatodiamminechromate(III)
Ammonium tetrathiocyanatodiamminechromate(III)
Ammonium tetrathiocyanodiammonochromate
四硫氰基二氨络铬(III)酸铵
二氨基四硫代氰酸铬铵
利英纳克盐
四硫氰基二氨络铬酸铵
赖纳克氏盐
雷氏盐
CAS Number
13573-16-5
EC Number
237-003-3
MDL Number
MFCD00151654
MFCD00066638
PubChem SID
24899366
162089972
24851069
PubChem CID
44134924

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.2684  LogD (pH = 7.4) 1.2684 
Log P 1.2684  Molar Refractivity 57.7964 cm3
Polarizability 23.591137 Å3 Polar Surface Area 95.16 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
1900 °C (3452 °F) expand Show data source
268-272 °C (dec.)(lit.) expand Show data source
268-272°C dec. expand Show data source
Boiling Point
2642 °C (4788 °F) expand Show data source
Density
7.2 (water = 1) expand Show data source
Vapor Pressure
Practically zero at room temperature, 1 mm Hg at 1616 °C expand Show data source
Storage Condition
Room Temperature (15-30°C) expand Show data source
European Hazard Symbols
Nature polluting Nature polluting (N) expand Show data source
Toxic Toxic (T) expand Show data source
X expand Show data source
Harmful Harmful (Xn) expand Show data source
UN Number
3077 expand Show data source
UN3077 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
Hazard Class
9 expand Show data source
Packing Group
III expand Show data source
Australian Hazchem
2X expand Show data source
Risk Statements
20/21/22 expand Show data source
20/21/22-32-50/53 expand Show data source
R:43-45-58 expand Show data source
Safety Statements
13-36/37-46-60-61 expand Show data source
36 expand Show data source
S:28-29-36/37/39-45-53-61 expand Show data source
Emergency Response Guidebook(ERG) Number
171 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS09 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H302-H312-H332 expand Show data source
H400-H410-H302-H312-H332 expand Show data source
GHS Precautionary statements
P261-P280-P302+P352-P304+P340-P322-P501A expand Show data source
P280 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Storage Temperature
2-8°C expand Show data source
Purity
≥93.0% expand Show data source
97% expand Show data source
Grade
ACS reagent expand Show data source
Certificate of Analysis
Download expand Show data source
Impurities
≤0.05% insol. dil. HCl expand Show data source
Linear Formula
NH4[Cr(NH3)2(SCN)4] expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 183687 external link
Application
Color reagent and precipitant for mercury. Precipitant for primary and secondary amines and certain amino acids.
Packaging
25, 100 g in poly bottle
Sigma Aldrich - R4126 external link
包装
25, 100 g in poly bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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