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6132-04-3 molecular structure
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trisodium 2-hydroxypropane-1,2,3-tricarboxylate

ChemBase ID: 105854
Molecular Formular: C6H5Na3O7
Molecular Mass: 258.06901
Monoisotopic Mass: 257.97283534
SMILES and InChIs

SMILES:
[Na+].[Na+].[Na+].OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-]
Canonical SMILES:
[O-]C(=O)C(CC(=O)[O-])(CC(=O)[O-])O.[Na+].[Na+].[Na+]
InChI:
InChI=1S/C6H8O7.3Na/c7-3(8)1-6(13,5(11)12)2-4(9)10;;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;/q;3*+1/p-3
InChIKey:
HRXKRNGNAMMEHJ-UHFFFAOYSA-K

Cite this record

CBID:105854 http://www.chembase.cn/molecule-105854.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
trisodium 2-hydroxypropane-1,2,3-tricarboxylate
IUPAC Traditional name
tripotassium citrate
trisodium citrate
Synonyms
Citric acid trisodium salt, anhydrous
Trisodium citrate, anhydrous
Buffer solution from sodium citrate
Sodium citrate buffer solution
Buffer solution pH 5.0 (20 °C)
Buffer solution pH 6.0 (20 °C)
Citric Acid Trisodium Salt, Dihydrate
CITRIC ACID TRISODIUM SALT DIHYDRATE
sodium dihydrogen 2-hydroxypropane-1,2,3-tricarboxylate
Monosodium citrate
Citrosodine
Citric acid, trisodium salt
Sodium citrate
Trisodium citrate
Citric acid trisodium salt
Sodium citrate buffer
Buffer solution HPCE pH 3.0
Buffer solution HPCE pH 4.5
Buffer solution HPCE pH 5.5
Buffer solution HPCE pH 2.5
Citric acid-NaOH buffer solution
Sodium citrate buffer
Buffer solution HPCE pH 4.0
Buffer solution HPCE pH 5.0
Buffer solution HPCE pH 6.0
Buffer solution HPCE pH 3.5
Citrate Solution
Citrate Concentrated Solution
Sodium 2-hydroxypropane-1,2,3-tricarboxylate
柠檬酸钠, 无水
柠檬酸钠缓冲液 溶液
由柠檬酸钠制备的缓冲溶液
缓冲溶液 pH 5.0(20°C)
缓冲溶液 pH 6.0(20°C)
柠檬酸 三钠盐
用于 HPCE 的 pH 3.0 缓冲溶液
用于 HPCE 的 pH 4.5 缓冲溶液
用于 HPCE 的 pH 5.5 缓冲溶液
柠檬酸-NaOH 缓冲液 溶液
柠檬酸钠缓冲液
用于 HPCE 的 pH 2.5 缓冲溶液
用于 HPCE 的 pH 4.0 缓冲溶液
用于 HPCE 的 pH 5.0 缓冲溶液
用于 HPCE 的 pH 6.0 缓冲溶液
用于 HPCE 的 pH 3.5 缓冲溶液
柠檬酸盐浓缩液
CAS Number
6132-04-3
68-04-2
EC Number
200-675-3
231-791-2
MDL Number
MFCD00012462
Merck Index
148602
PubChem SID
24888110
24887998
24887983
24887996
24887994
162092842
24887995
24887997
24887993
24887984
24888345
24860320
24889489
24899674
24887992
24892638
24860318
24887999
PubChem CID
6224
CHEBI ID
53258
CHEMBL
1355
Chemspider ID
5989
Wikipedia Title
Monosodium_citrate
Trisodium_citrate

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 3.0479515  H Acceptors
H Donor LogD (pH = 5.5) -4.949584 
LogD (pH = 7.4) -9.468992  Log P -1.3226875 
Molar Refractivity 68.1352 cm3 Polarizability 14.119506 Å3
Polar Surface Area 140.62 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
42.5 g/100 ml (25 °C) in water expand Show data source
Apperance
Solid expand Show data source
White crystalline powder expand Show data source
Melting Point
> 300°C expand Show data source
300°C expand Show data source
Boiling Point
Decomposes expand Show data source
Density
1.000 g/mL at 20 °C expand Show data source
1.008 g/mL at 20 °C expand Show data source
1.7 g/cm3 expand Show data source
Absorption Wavelength
λ: 260 nm Amax: ≤0.1 expand Show data source
Conductivity
~0.9 mS/cm at 20 °C expand Show data source
~1.2 mS/cm at 20 °C expand Show data source
~1.5 mS/cm at 20 °C expand Show data source
~2.0 mS/cm at 20 °C expand Show data source
~2.5 mS/cm at 20 °C expand Show data source
~3.1 mS/cm at 20 °C expand Show data source
~3.5 mS/cm at 20 °C expand Show data source
Fluorescence
λex 200-600 nm; λem 300-800 nm (corresponds) expand Show data source
pH
~3.0 expand Show data source
2.5 (25 °C) expand Show data source
3.0 expand Show data source
3.0 (25 °C) expand Show data source
3.5 (25 °C) expand Show data source
3.6±0.1 (25 °C) expand Show data source
4.0 (25 °C) expand Show data source
4.5 (25 °C) expand Show data source
5.0 (25 °C) expand Show data source
5.00 (20 °C) expand Show data source
5.00 (30 °C) expand Show data source
5.00 (40 °C) expand Show data source
5.02 (10 °C) expand Show data source
5.02 (50 °C) expand Show data source
5.04 (60 °C) expand Show data source
5.05 (0 °C) expand Show data source
5.07 (70 °C) expand Show data source
5.10 (80 °C) expand Show data source
5.13 (90 °C) expand Show data source
5.5 (25 °C) expand Show data source
6.0 (25 °C) expand Show data source
6.00 (20 °C) expand Show data source
6.01 (10 °C) expand Show data source
6.02 (30 °C) expand Show data source
6.03 (0 °C) expand Show data source
6.04 (40 °C) expand Show data source
6.06 (50 °C) expand Show data source
6.09 (60 °C) expand Show data source
6.13 (70 °C) expand Show data source
6.18 (80 °C) expand Show data source
6.24 (90 °C) expand Show data source
7.0-8.0 expand Show data source
Storage Condition
Room Temperature (15-30°C) expand Show data source
RTECS
GE8300000 expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
Irritant Irritant (Xi) expand Show data source
UN Number
1824 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
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Download expand Show data source
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Download expand Show data source
German water hazard class
1 expand Show data source
2 expand Show data source
nwg expand Show data source
Hazard Class
8 expand Show data source
Packing Group
3 expand Show data source
Risk Statements
35 expand Show data source
36 expand Show data source
Safety Statements
26 expand Show data source
26-36/37/39-45 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Danger expand Show data source
Warning expand Show data source
Main Hazard
Irritant expand Show data source
GHS Hazard statements
H314 expand Show data source
H319 expand Show data source
GHS Precautionary statements
P280-P305 + P351 + P338-P310 expand Show data source
P305 + P351 + P338 expand Show data source
Personal Protective Equipment
Eyeshields, Gloves expand Show data source
Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US) expand Show data source
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
RID/ADR
UN 1824 8/PG 3 expand Show data source
Storage Temperature
2-8°C expand Show data source
Purity
~99% expand Show data source
≥98% (GC) expand Show data source
95+% expand Show data source
99% expand Show data source
Concentration
1 M in H2O expand Show data source
20 mM sodium citrate expand Show data source
27 mM expand Show data source
30 mM expand Show data source
4 % (w/v) expand Show data source
Grade
anhydrous expand Show data source
for HPCE expand Show data source
for molecular biology expand Show data source
Compostion
citric acid, ~0.060 M expand Show data source
citric acid, ~0.096 M expand Show data source
sodium hydroxide, ~0.16 M expand Show data source
sodium hydroxide, ~0.20 M expand Show data source
Certificate of Analysis
Download expand Show data source
Suitability
in accordance for HPCE expand Show data source
suitable for coagulation assays expand Show data source
Impurities
DNases, none detected expand Show data source
insoluble matter, passes filter test expand Show data source
phosphatases, none detected expand Show data source
proteases, none detected expand Show data source
RNases, none detected expand Show data source
Sterility
aseptically filled expand Show data source
Clinical
for in vitro diagnostic use expand Show data source
Shelf Life
(limited shelf life, expiry date on the label) expand Show data source
Quality Level
IVD expand Show data source
Quality
traceable to SRM from NIST expand Show data source
with fungicide expand Show data source
λ
neat expand Show data source
Product Line
BioReagent expand Show data source
BioUltra expand Show data source
abs.
UV absorption/200-800 nm in accordance expand Show data source
Empirical Formula (Hill Notation)
C6H5Na3O7 expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Wikipedia Wikipedia Sigma Aldrich Sigma Aldrich
MP Biomedicals - 02194817 external link
Molecular Biology Reagent
Purity: ~99%
Trisodium Salt
Dihydrate
Sigma Aldrich - 854 external link
Application
For the preparation of a 60% citrate buffered acetone solution used as a fixative for blood smears. No dilution required. Add 30 ml citrate solution to 20 ml absolute acetone for preparation of fixative.
Sigma Aldrich - S5770 external link
Application
For routine coagulation assays.Suggested anticoagulant: whole blood ratio: 1:9.
Sigma Aldrich - 915 external link
Components
Citric Acid, 18 mmol/l, sodium citrate, 9 mmol/L, sodium chloride, 12 mmol/L with surfactant. pH 3.6 +/- 0.1 at 25 °C.
Application
Used as a kit component for the 91A and 91C procedures for Esterase.
Sigma Aldrich - 33545 external link
General description
This standard solution is tested against certified reference materials from NIST and/or PTB.
Visit our Titration Center to learn more.
Sigma Aldrich - 82586 external link
Preparation Note
prepared under clean room conditions and filtered through a 0.2 μm membrane filter
Sigma Aldrich - 82583 external link
Preparation Note
prepared under clean room conditions and filtered through a 0.2 μm membrane filter
Sigma Aldrich - 82587 external link
Preparation Note
prepared under clean room conditions and filtered through a 0.2 μm membrane filter
Sigma Aldrich - 82584 external link
Preparation Note
prepared under clean room conditions and filtered through a 0.2 μm membrane filter
Sigma Aldrich - 82582 external link
Preparation Note
prepared under clean room conditions and filtered through a 0.2 μm membrane filter
Sigma Aldrich - 82581 external link
Preparation Note
Prepared under clean room conditions and filtered through a 0.2 μm membrane filter.
Sigma Aldrich - 82588 external link
Preparation Note
prepared under clean room conditions and filtered through a 0.2 μm membrane filter
Sigma Aldrich - 33544 external link
General description
This standard solution is tested against certified reference materials from NIST and/or PTB.
Visit our Titration Center to learn more.
Sigma Aldrich - 82585 external link
Preparation Note
prepared under clean room conditions and filtered through a 0.2 μm membrane filter

REFERENCES

REFERENCES

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PATENTS

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