CAS 66-76-2 MFCD00006857-Dicoumarol 双香豆素 TAO{mole}

Dicoumarol 双香豆素

CAS 66-76-2 MFCD00006857

化学结构图

SMILES: OC1=C(CC2C(=O)OC3C=CC=CC=3C=2O)C(=O)OC2C=CC=CC1=2

化学属性

Mol. Formula	C19H12O6
Mol. Weight	336
Melting Point	290-292 °C(lit.)
TSCA	Yes
Solubility	溶于碱、吡啶，微溶于氯仿、苯，不溶于水、醇、醚。

别名和识别编码

Chemical Name	Dicoumarol
Synonym	2H-1-Benzopyran-2-one, 3,3'-methylenebis(4-hydroxy- 2H-1-Benzopyran-2-one, 3,3'-methylenebis[4-hydroxy- 3,3& 3,3'-Methylenbis(4-hydroxy-2H-1-benzopyran-2-on) 3,3'-Methylenbis(4-hydroxycumarin) 3,3'-Methylenebis(4-hydroxycoumarin) 3,3'-Methylenebis[4-hydroxycoumarin] 3,3' 3,3'-METHY 3,3'-Me 3,3'-Methyleen-bis(4-hydroxy-cumarine) 3,3'-Methylenebis(4-hydroxy-2H-1-benzopyran-2-one) 3,3'-亚甲基双(4-羟基馥素) 3,3ˊ-亚甲基双(4-羟基香豆素) 3,3’-methyleen-bis(4-hydroxy-cumarine) 3,3’-methylen-bis(4-hydroxy-cumarin) 3,3’-methylene 3,3’-methylene-bis(4-hydr 3,3’-methylenebis(4-hydroxy-coumari 3,3’-methylenebis[4-hydroxy-2h-1-benzopyran-2-on 3,3’-metilen-bis(4-idrossi-cumarina) 4,4'-dihydroxy-3,3'-methanediyl-bis-chromen-2-one 4,4'-dihydroxy-3,3'-methylenebis(2H-chromen-2-one) Ac Acadyl Antitrombosin BHC BIS-HYDROXY BISCUMAROL Bis(4-hydroxycoumarin-3-yl)methane Bis-3,3'-(4-hydroxycoumarinyl)methane Bishyd Bishydroxycou Bishydroxycoumarin Coumarin, 3,3'-methylenebis[4-hydroxy- Cumid Di-(4-hydroxy-3-coumarinyl)methane Di-4-hydr Dicoumal Dicoumarol Dicumarol Dicuman Dicumaol R Dicumari Dicumarine Dicumol Trombosan {} {} {Chem {} {} {} {} {C {} {} {} {} {} {Chem {} {} {} {} {} {Chemicalb {} {} {} {} {} {SNA} 丁香素双羟香豆素
MDL Number	MFCD00006857
CAS Number	66-76-2
EC Number	200-632-9
PubChem Substance ID	87572306
Merck Number	3090
Chemical Name Translation	双香豆素
Wiswesser Line Notation	T66 BOVJ EQ D1- DT66 BOVJ EQ
Beilstein Registry Number	19,197
LabNetwork Molecule ID	LN00878659
Reaxys-RN	335444

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安全信息

WGK Germany3

RTECSGN7875000

GHS Symbol

Precautionary statements

P314 Get medical advice/attention if you feel unwell. 获取医疗咨询/就医，如果你觉得不舒服
P273 Avoid release to the environment. 避免释放到环境中。
P260 Do not breathe dust/fume/gas/mist/vapours/spray. 不要吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
P301+P310+P330
P501 Dispose of contents/container to..… 处理内容物/容器.....
P405 Store locked up. 上锁保管。
P391 Collect spillage. Hazardous to the aquatic environment 收集对水环境有危害的泄漏物。
P308+P311
P270 Do not eat, drink or smoke when using this product. 使用本产品时不要吃东西，喝水或吸烟。
P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。

Hazard statements

H301 Toxic if swallowed 吞食有毒
H411 Toxictoaquaticlifewithlonglastingeffects 对水生生物有毒性并具有长期影响。
H372 Causes damage to organs through prolonged or repeated exposure 长期或频繁接触会损伤器官
H302 Harmful if swallowed 吞食有害

Signal word Danger

Personal Protective Equipment Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges

Hazard Codes T,N

Safety Statements

S61 Avoid release to the environment. Refer to special instructions/safety data sheet 避免释放到环境中，参考特别指示/安全收据说明书；
S45 In case of accident or if you feel unwell seek medical advice immediately (show the label where possible) 发生事故时或感觉不适时，立即求医（可能时出示标签）；
S37 Wear suitable gloves 戴适当手套；

Risk Statements

R51/53
R48/25
R22 Harmful if swallowed 吞咽有害

Packing GroupIII

UN Number UN 2811 6.1/PG 3 UN2811 2811

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 91 mg/kg
TOXIC EFFECTS :
   Cardiac - other changes
   Vascular - pulse pressure increase
REFERENCE :
   DIPHAH Dissertationes Pharmaceuticae.  (Warsaw, Poland)  V.1-17, 1949-65.
   For publisher information, see PJPPAA.  Volume(issue)/page/year: 17,163,1965

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Mammal - dog
DOSE/DURATION           : 40 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   27ZIAQ "Drug Dosages in Laboratory Animals - A Handbook," Rev. ed., Barnes,
   C.D., and L.G. Eltherington, Berkeley, Univ. of California Press, 1973
   Volume(issue)/page/year: -,57,1973

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - guinea pig
DOSE/DURATION           : 59 mg/kg
TOXIC EFFECTS :
   Sense Organs and Special Senses (Olfaction) - ulcerated nasal septum
   Gastrointestinal - ulceration or bleeding from large intestine
REFERENCE :
   PSEBAA Proceedings of the Society for Experimental Biology and Medicine.
   (Academic Press, Inc., 1 E. First St., Duluth, MN 55802)  V.1-    1903/04-
   Volume(issue)/page/year: 50,228,1942

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TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 233 mg/kg
TOXIC EFFECTS :
   Sense Organs and Special Senses (Olfaction) - ulcerated nasal septum
   Gastrointestinal - ulceration or bleeding from large intestine
REFERENCE :
   PSEBAA Proceedings of the Society for Experimental Biology and Medicine.
   (Academic Press, Inc., 1 E. First St., Duluth, MN 5

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Human - woman
DOSE                    : 110 mg/kg
SEX/DURATION            : female 31-40 week(s) after conception
TOXIC EFFECTS :
   Reproductive - Effects on Embryo or Fetus - fetal death
   Reproductive - Effects on Newborn - stillbirth
   Reproductive - Effects on Newborn - other neonatal measures or effects
REFERENCE :
   AJOGAH American Journal of Obstetrics and Gynecology.  (C.V. Mosby Co.,
   11830 Westline Industrial Dr., St. Louis, MO 63146)  V.1-    1920-
   Volume(issue)/page/year: 57,965,1949

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Unreported
SPECIES OBSERVED        : Human - woman
DOSE                    : 28 mg/kg
SEX/DURATION            : female 28-30 week(s) after conception
TOXIC EFFECTS :
   Reproductive - Effects on Embryo or Fetus - fetal death
   Reproductive - Specific Developmental Abnormalities - other developmental
   abnormalities
REFERENCE :
   AJOGAH American Journal of Obstetrics and Gynecology.  (C.V. Mosby Co.,
   11830 Westline Industrial Dr., St. Louis, MO 63146)  V.1-    1920-
   Volume(issue)/page/year: 77,1135,1959

Hazard Class6.1

其他信息

外观性质:白色或浅黄色粉末，味苦带臭味。
RTECS号:GN7875000
双羟香豆素价格(试剂级):更新日期产品编号产品名称包装价格 2014/06/02 M0216 双香豆素 Dicoumarol 1G 155元 2011/04/16 M0216 双香豆素 Dicoumarol 25G 727元 2010/06/21 204120050 双羟香豆素 Dicumarol 99% 5 GR 416元
图谱信息:双羟香豆素(66-76-2)质谱(MS)
PackingGroup:III
HazardClass:6.1(b)
MOL 文件:66-76-2.mol