78610
苯乙醛酸
purum, ≥98.0% (T)
别名:
苯乙酮酸, 苯甲酰甲酸
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线性分子式:
C6H5COCOOH
化学文摘社编号:
分子量:
150.13
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
210-278-7
Beilstein/REAXYS Number:
606718
MDL number:
Assay:
≥98.0% (T)
Form:
crystals
InChI key
FAQJJMHZNSSFSM-UHFFFAOYSA-N
InChI
1S/C8H6O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5H,(H,10,11)
SMILES string
OC(=O)C(=O)c1ccccc1
grade
purum
assay
≥98.0% (T)
form
crystals
bp
84 °C/0.1 mmHg
mp
62-65 °C (lit.), 63-67 °C
solubility
methanol: 0.1 g/mL, clear
functional group
carboxylic acid, ketone, phenyl
Quality Level
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signalword
Warning
hcodes
Hazard Classifications
Eye Irrit. 2 - Skin Irrit. 2
存储类别
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
dust mask type N95 (US), Eyeshields, Gloves
Jesus M Aizpurua et al.
The Journal of organic chemistry, 74(17), 6691-6702 (2009-08-01)
Mechanistic details of the Mg(2+) ion-activated enantioselective reduction of methyl benzoylformate have been investigated at a B3LYP/6-31G* theory level, using peptide NADH models 1 rigidified with a beta-lactam ring. Computation of the reaction pathway revealed important structural differences between the
Ming Zhang et al.
Toxicological sciences : an official journal of the Society of Toxicology, 115(1), 295-303 (2010-02-17)
Ethylbenzene is an important industrial chemical that has recently been classified as a possible human carcinogen (International Agency of Research on Cancer class 2B), but the available data do not support the genotoxic mechanism of ethylbenzene-induced tumors in kidney. We
Caleb J Allpress et al.
Journal of the American Chemical Society, 135(2), 659-668 (2012-12-12)
Mononuclear Fe(II) complexes ([(6-Ph(2)TPA)Fe(PhC(O)C(R)C(O)Ph)]X (3-X: R = OH, X = ClO(4) or OTf; 4: R = H, X = ClO(4))) supported by the 6-Ph(2)TPA chelate ligand (6-Ph(2)TPA = N,N-bis((6-phenyl-2-pyridyl)methyl)-N-(2-pyridylmethyl)amine) and containing a β-diketonate ligand bound via a six-membered chelate ring
Sébastien Gagné
Rapid communications in mass spectrometry : RCM, 26(7), 845-852 (2012-03-01)
Ultra-performance liquid chromatography coupled with tandem mass spectrometry was used for the biological monitoring of workers occupationally exposed to solvents. The method was developed using a triple quadrupole to investigate the relevant urinary metabolites of styrene, namely mandelic acid and
Sirilak Wongvijitsuk et al.
International journal of hygiene and environmental health, 214(2), 127-137 (2010-10-30)
The present study aimed to evaluate the effects of styrene exposure at levels below the recommended standards of the Threshold Limit Value (TLV-TWA(8)) of 20 ppm (ACGIH, 2004) in reinforced-fiberglass plastics workers. Study subjects comprised 50 exposed workers and 40
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