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643-79-8 molecular structure
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benzene-1,2-dicarbaldehyde

ChemBase ID: 69457
Molecular Formular: C8H6O2
Molecular Mass: 134.13204
Monoisotopic Mass: 134.03677943
SMILES and InChIs

SMILES:
c1(c(cccc1)C=O)C=O
Canonical SMILES:
O=Cc1ccccc1C=O
InChI:
InChI=1S/C8H6O2/c9-5-7-3-1-2-4-8(7)6-10/h1-6H
InChIKey:
ZWLUXSQADUDCSB-UHFFFAOYSA-N

Cite this record

CBID:69457 http://www.chembase.cn/molecule-69457.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
benzene-1,2-dicarbaldehyde
IUPAC Traditional name
phthalaldehyde
Synonyms
o-Phthalaldehyde
o-PHTHALALDEHYDE
Phthalaldehyde
Benzene-1,2-dicarboxaldehyde
Phthalaldehyde
Benzene-1,2-dicarboxaldehyde
Phthaldialdehyde
Phthaldialdehyde Reagent
2-Carboxybenzaldehyde
Phthaldialdehyde
o-Phthalic dicarboxaldehyde
OPA
1,2-苯二甲醛
邻苯二醛
酞醛
邻苯二甲醛
邻苯二甲醛试剂
CAS Number
643-79-8
EC Number
211-402-2
MDL Number
MFCD00003335
Beilstein Number
878317
PubChem SID
24844938
162035183
24887499
24898111
24898893
24898191
24898119
PubChem CID
4807
Chemspider ID
4642
Wikipedia Title
Phthalaldehyde

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.3982505  LogD (pH = 7.4) 1.3982505 
Log P 1.3982505  Molar Refractivity 39.226 cm3
Polarizability 14.116663 Å3 Polar Surface Area 34.14 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Low in water expand Show data source
Apperance
light yellow powder expand Show data source
light yellow to yellow with a green cast powder (may contain lumps) expand Show data source
Yellow solid expand Show data source
Melting Point
53-56 °C expand Show data source
53-56°C expand Show data source
53-57°C expand Show data source
53-57°C expand Show data source
54-56 °C expand Show data source
55.5 - 56°C expand Show data source
Boiling Point
266.1°C expand Show data source
83°C/0.8mm expand Show data source
Flash Point
132 °C (269.6 °F) expand Show data source
132 °C expand Show data source
132°C expand Show data source
132°C (269.6°F) expand Show data source
132°C(269°F) expand Show data source
269.6 °F expand Show data source
Density
1.130 expand Show data source
1.19 g/mL expand Show data source
Fluorescence
λex 334 nm; λem 455 nm (Thiol Adduct) expand Show data source
λex 340 nm; λem 450 nm in reaction buffer (with glycine) expand Show data source
Storage Condition
2-8°C, Protect from light expand Show data source
Storage Warning
Air Sensitive expand Show data source
Corrosive/Toxic/Light Sensitive/Air Sensitive/Moisture Sensitive/Store under Argon/Keep Cold expand Show data source
IRRITANT expand Show data source
RTECS
TH6950000 expand Show data source
European Hazard Symbols
Nature polluting Nature polluting (N) expand Show data source
Toxic Toxic (T) expand Show data source
Irritant Irritant (Xi) expand Show data source
Harmful Harmful (Xn) expand Show data source
UN Number
UN2923 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
German water hazard class
3 expand Show data source
Hazard Class
8 expand Show data source
Packing Group
II expand Show data source
Risk Statements
20/21/22-36/37/38 expand Show data source
25-34-43 expand Show data source
25-34-43-50 expand Show data source
R:36/37/38 expand Show data source
R25 R34 R43 R50 expand Show data source
Safety Statements
26-36 expand Show data source
26-36/37/39-45-60 expand Show data source
26-36/37/39-45-61 expand Show data source
S:20-25-26-37/39 expand Show data source
S26 S36/37/39 S45 S61 expand Show data source
TSCA Listed
false expand Show data source
expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS06 expand Show data source
GHS09 expand Show data source
GHS Signal Word
Danger expand Show data source
Main Hazard
Toxic, Irritant expand Show data source
GHS Hazard statements
H300-H317-H314-H318 expand Show data source
H301-H314-H317-H400 expand Show data source
GHS Precautionary statements
P260-P301+P310-P303+P361+P353-P305+P351+P338-P405-P501A expand Show data source
P273-P280-P301 + P310-P305 + P351 + P338-P310 expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges 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
Storage Temperature
2-8°C expand Show data source
Purity
≥97% (HPLC) expand Show data source
≥97.0% (HPLC) expand Show data source
≥98.5% (HPLC) expand Show data source
≥99% (HPLC) expand Show data source
≥99.0% (HPLC) expand Show data source
95+% expand Show data source
97% expand Show data source
98% expand Show data source
Grade
for fluorescence expand Show data source
puriss. p.a. expand Show data source
Certificate of Analysis
Download expand Show data source
Suitability
suitable for fluorescence expand Show data source
suitable for HPLC fluorimetric detection of amino acids expand Show data source
Ignition Residue
≤0.1% (as SO4) expand Show data source
Impurities
≤0.5% phthalic acid expand Show data source
Cation Traces
Ca: ≤10 mg/kg expand Show data source
Cd: ≤5 mg/kg expand Show data source
Co: ≤5 mg/kg expand Show data source
Cr: ≤5 mg/kg expand Show data source
Cu: ≤5 mg/kg expand Show data source
Fe: ≤5 mg/kg expand Show data source
K: ≤50 mg/kg expand Show data source
Mg: ≤5 mg/kg expand Show data source
Mn: ≤5 mg/kg expand Show data source
Na: ≤50 mg/kg expand Show data source
Ni: ≤5 mg/kg expand Show data source
Pb: ≤5 mg/kg expand Show data source
Zn: ≤5 mg/kg expand Show data source
Empirical Formula (Hill Notation)
C8H6O2 expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Wikipedia Wikipedia Sigma Aldrich Sigma Aldrich
MP Biomedicals - 02102648 external link
Reagent for fluorometric determination of histamine, histidine and other amino acids. Also used for cholesterol assay in the picomole range.
Sigma Aldrich - 79760 external link
Application
For precolumn derivatization of amino acids for HPLC separation. For flow cytometric measurements of protein thiol groups.
Sigma Aldrich - P1378 external link
Application
适用于高效液相色谱分离中氨基酸的柱前衍生化。适于通过流式细胞法测量蛋白巯基。
包装
1, 5, 25, 100 g in glass bottle
Sigma Aldrich - 79765 external link
Application
For precolumn derivatization of amino acids for HPLC separation. For flow cytometric measurements of protein thiol groups.
Sigma Aldrich - 00681 external link
Application
For precolumn derivatization of amino acids for HPLC separation. For flow cytometric measurements of protein thiol groups.
Sigma Aldrich - P0532 external link
Application
柱前衍生化试剂,用于伯胺和氨基酸。荧光衍生物可采用反相高效液相色谱法检测。反应需要 OPA、伯胺和巯基。在存在过量巯基的情况下,可定量测定胺。在存在过量胺的情况下,可定量测定巯基。
Other Notes
每毫升溶液含有 1mg 邻苯二甲醛 (P0657),并且以 2-巯基乙醇作为巯基部分。
Sigma Aldrich - P7914 external link
Application
对于需要巯基部分替代物的研究者十分有用。需要添加测定胺所需的巯基化合物。需要添加胺以测定巯基。
柱前衍生化试剂,用于伯胺和氨基酸。荧光衍生物可采用反相高效液相色谱法检测。反应需要 OPA、伯胺和巯基。在存在过量巯基的情况下,可定量测定胺。在存在过量胺的情况下,可定量测定巯基。
Linkage
与 P0532 相同,但不包含 2-巯基乙醇。
Sigma Aldrich - P0657 external link
Application
适用于高效液相色谱分离中氨基酸的柱前衍生化。适于通过流式细胞法测量蛋白巯基。

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Reagent for precolumn derivatization of amino acids: J. Chromat., 359, 231 (1986).
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PATENTS

PATENTS

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INTERNET

INTERNET

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