CAS 4431-00-9 MFCD00011663-5,5’-((3-Carboxy-4-Oxocyclohexa-2,5-Dien-1-Ylidene)Methylene)Bis(2-Hydroxybenzoic Acid) 金精三羧酸 -LabNovo

5,5’-((3-Carboxy-4-Oxocyclohexa-2,5-Dien-1-Ylidene)Methylene)Bis(2-Hydroxybenzoic Acid) 金精三羧酸

CAS 4431-00-9 MFCD00011663

化学结构图

SMILES: O=C(O)C1=CC(=C(c2ccc(O)c(C(=O)O)c2)c2ccc(O)c(C(=O)O)c2)C=CC1=O

化学属性

Mol. Formula	C22H14O9
Mol. Weight	422
Melting Point	300 °C (lit.)
TSCA	Yes
Appearance	桔红色至棕红色粉末。熔点220-225℃（分解）。易溶于水，微溶于乙醇，不溶于丙酮。 powder
Solubility	1 M NH4OH: 10 mg/mL

别名和识别编码

Chemical Name	5,5’-((3-Carboxy-4-Oxocyclohexa-2,5-Dien-1-Ylidene)Methylene)Bis(2-Hydroxybenzoic Acid)
MDL Number	MFCD00011663
CAS Number	4431-00-9
Synonym	aluminonfreeacid 1,4-cyclohexadiene-1-carboxylicacid,3-(bis(3-carboxy-4-hydroxyphenyl)methylen Aluminon free acid TIMTEC-BB SBB005410 金精三羧酸 AURINTRICARBOXYLIC ACID FREE ACIDPRACTIC AL GRADE e)-6-oxo- 5,5'-[(3-Carboxy-4-oxo-2,5-cyclohexadien-1-ylidene)methylene]bis(2-hydroxybenzoic AURINTRICARBOXYLIC ACID Aurintricarboxylic acid, tech., 85% LABOTEST-BB LT00080677 1-Oxo-4-[bis(3-carboxy-4-hydroxyphenyl)methylene]-2,5-cyclohexadiene-2-carboxylic acid 5-[(3-carboxy-4-hydroxyphenyl)(3-carboxy-4-oxo-2,5-cyclohexadien-benzoicaci Aurintricarboxylic Acid (Ata) aurinetricarboxylic acid AURINTRICARBONIC ACID 金黄三羧酸 5,5-(3-carboxy-4-oxocyclohexa-2,5-dienylidenemethylene)di(salicylic acid) ATA
EC Number	224-628-1
PubChem Substance ID	2259
Beilstein Registry Number	2228904
Chemical Name Translation	金精三羧酸
InChIKey	GIXWDMTZECRIJT-UHFFFAOYSA-N
InChI	InChI=1S/C22H14O9/c23-16-4-1-10(7-13(16)20(26)27)19(11-2-5-17(24)14(8-11)21(28)29)12-3-6-18(25)15(9-12)22(30)31/h1-9,23-24H,(H,26,27)(H,28,29)(H,30,31)
LabNetwork Molecule ID	LN00194228

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安全信息

GHS Symbol

WGK Germany3

Precautionary statements

P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
P305+P351+P338

Hazard statements

H315 Causes skin irritation 会刺激皮肤
H319 Causes serious eye irritation 严重刺激眼睛
H335 May cause respiratory irritation 可能导致呼吸道刺激

RTECSGU4790000

Signal word Warning

Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves

Safety Statements

S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后，立即用大量水冲洗并征求医生意见；
S37 Wear suitable gloves 戴适当手套；
S36 Wear suitable protective clothing 穿戴适当的防护服；

Risk Statements

R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性

Hazard Codes Xi

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 340 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   BBRCA9 Biochemical and Biophysical Research Communications.  (Academic
   Press, Inc., 1 E. First St., Duluth, MN 55802)  V.1-    1959-
   Volume(issue)/page/year: 136,64,1986

TYPE OF TEST            : DNA inhibition
TEST SYSTEM             : Rodent - mouse Liver
DOSE/DURATION           : 100 umol/L
REFERENCE :
   AMOKAG Acta Medicia Okayama.  (Okayama Univ. Medical School, Okayama, Japan)
    V.27    1973-  Volume(issue)/page/year: 33,149,1979

TYPE OF TEST            : DNA inhibition
TEST SYSTEM             : Rodent - mouse Ascites tumor
DOSE/DURATION           : 50 umol/L
REFERENCE :
   AMOKAG Acta Medicia Okayama.  (Okayama Univ. Medical School, Okayama, Japan)
    V.27    1973-  Volume(issue)/page/year: 33,149,1979

其他信息

Sigma Aldrich:4431-00-9(sigmaaldrich)
上游原料:4-硝基苯甲酰氯 --> 5,5'-亚甲基双水杨酸
Alfa Aesar:金精三羧酸 Aurintricarboxylic acid(4431-00-9)
color:dark red to brown
金精三羧酸价格(试剂级):更新日期产品编号产品名称包装价格 2010/05/25 A15905 金精三羧酸 Aurintricarboxylic acid 5g 384元 2010/05/25 A15905 金精三羧酸 Aurintricarboxylic acid 25g 1246元 2010/05/25 A15905 金精三羧酸 Aurintricarboxylic acid 100g 3990元
MOL 文件:4431-00-9.mol
图谱信息:金精三羧酸(4431-00-9)红外图谱(IR1) 金精三羧酸(4431-00-9)红外图谱(IR2)
方法一:水杨酸与甲醛反应得到亚甲基二水杨酸，再将其与水杨酸、亚硝酰硫酯混合反应，得金黄三羧酸。
用途一:铝试剂的中间体。