CAS 529-84-0 MFCD00006859-4-Methylesculetin 6,7-二羟基-4-甲基-2H-苯并吡喃-2-酮 -LabNovo

4-Methylesculetin 6,7-二羟基-4-甲基-2H-苯并吡喃-2-酮

CAS 529-84-0 MFCD00006859

化学结构图

SMILES: Cc1cc(=O)oc2cc(O)c(O)cc12

化学属性

Mol. Formula	C10 H8 O4
Mol. Weight	192.17
Melting Point	ca 275° dec.
TSCA	Yes
Appearance	黄色针状结晶。熔点为272-274℃。溶于热水、醇、乙酸、浓硫酸和稀碱，溶液呈蓝色荧光，遇三氯化铁呈绿色。
Solubility	DMF: soluble

别名和识别编码

Chemical Name	4-Methylesculetin
CAS Number	529-84-0
Alfabeta Name	DIHYDROXYMETHYLCHROMENONE H67422-------,
MDL Number	MFCD00006859
Synonym	(6,7-Dihydroxy-4-methylcoumarin)4-Methylesculetin 2H-1-Benzopyran-2-one, 6,7-dihydroxy-4-methyl- 4-METHYL-6,7-DIHYDROXYCOUMARIN 4-METHYLESCULENTIN 4-METHYLESCULETIN 4-Methyl-6,7-dihydroxy-2H-1-benzopyran-2-one 4-Methylaesculetin 4-Methylesculetin 4-methylaesculetin 4-methylesculetol 4-甲基七叶亭 4-甲基七叶苷原 6 7-DIHYDROXY-4-METHYLCOUMARIN FOR & 6,7-DIHYDROXY-4-METHYL-CHROMEN-2-ONE 6,7-DIHYDROXY-4-METHYLCOUMARIN 6,7-Dihydroxy-4-methyl-2H-1-benzopyran-2-one 6,7-Dihydroxy-4-methyl-2H-chromen-2-one 6,7-Dihydroxy-4-methylcoumarin {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
PubChem Substance ID	87572768
Beilstein Registry Number	162550
EC Number	208-470-0
Reaxys-RN	162550
Chemical Name Translation	6,7-二羟基-4-甲基-2H-苯并吡喃-2-酮
LabNetwork Molecule ID	LN00166621
InChI	InChI=1S/C10H8O4/c1-5-2-10(13)14-9-4-8(12)7(11)3-6(5)9/h2-4,11-12H,1H3
Canonical SMILES	O=C1C=C(C)C2=CC(O)=C(O)C=C2O1

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安全信息

Warnings IRRITANT

WGK Germany2

GHS Symbol

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。
P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
P302+P350
P302+P352+P332+P313+P362+P364
P305+P351+P338
P305+P351+P338+P337+P313
P312 Call a POISON CENTER or doctor/physician if you feel unwell. 如果你感觉不适，呼叫解毒中心或医生/医师。
P332+P313
P337+P313
P362 Take off contaminated clothing and wash before reuse. 脱掉污染的衣服，清洗后方可重新使用

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
H303 May be harmfully swallowed 吞食可能有害

RTECSGN6384500

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；
S36 Wear suitable protective clothing 穿戴适当的防护服；
S37 Wear suitable gloves 戴适当手套；

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       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 3200 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   MPHEAE Medicina et Pharmacologia Experimentalis.  (Basel, Switzerland)
   V.12-17, 1965-67.  For publisher information, see PHMGBN.
   Volume(issue)/page/year: 17,497,1967

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 5130 mg/kg
TOXIC EFFECTS :
   Cardiac - arrhythmias (including changes in conduction)
   Cardiac - cardiomegaly
   Nutritional and Gross Metabolic - body temperature decrease
REFERENCE :
   THERAP Therapie.  (Doin, Editeurs, 8, Place de l'Odeon, F-75006 Paris,
   France)  V.1-    1946-  Volume(issue)/page/year: 20,879,1965

Storage condition 2-8°C, protect from light N/A℃ No Data Available

其他信息

TCI Shanghai:4-甲基七叶亭 4-Methylesculetin,>;98.0%(T)(529-84-0)
Alfa Aesar:4-甲基七叶亭,97% 6,7-Dihydroxy-4-methylcoumarin, 97%(529-84-0)
Sigma Aldrich:529-84-0(sigmaaldrich)
Acros Organics:4-甲基七叶亭 4-Methylesculetin, 98%(529-84-0)
F:8
用途一:用作荧光指示剂。
方法一:由苯醌与乙酐在浓酸存在下生成苯基三乙酸酯。在稀硫酸作用下与乙酰乙酸乙酯反应，将反应物倒入冰水中而析出甲基七叶亭粗品，过滤出的结晶用水重结晶，即得成品。
4-甲基七叶苷原价格(试剂级):更新日期产品编号产品名称包装价格 2014/06/02 M0766 4-甲基七叶亭 4-Methylesculetin 25G 652元 2010/06/21 152920050 4-甲基七叶苷原 4-Methylesculetin 98% 5 GR 382元 2010/06/21 152920250 4-甲基七叶苷原 4-Methylesculetin 98% 25 GR 1389元
上游原料:苯醌 --> 甲基七叶亭
MOL 文件:529-84-0.mol
图谱信息:4-甲基七叶苷原(529-84-0)红外图谱(IR1) 4-甲基七叶苷原(529-84-0)红外图谱(IR2) 4-甲基七叶苷原(529-84-0)质谱(MS)