CAS 51-20-7 MFCD00006017-5-Bromouracil 5-溴尿嘧啶 TAO{mole}

5-Bromouracil 5-溴尿嘧啶

CAS 51-20-7 MFCD00006017

化学结构图

SMILES: O=c1[nH]cc(Br)c(=O)[nH]1

化学属性

Mol. Formula	C4H3BrN2O2
Mol. Weight	190.98
Density	1.965
Melting Point	310°C
TSCA	Yes
Solubility	可溶 IN COLD WATER

别名和识别编码

Chemical Name	5-Bromouracil
CAS Number	51-20-7
Synonym	5-Bromouracil {LY} 5-Bromouracil {} {LY} 5-Bromouracil {} {} {LY} 5-Bromouracil {} {} {} {LY} 5-Bromouracil {} {} {} {} {LY} 5-Bromouracil {} {} {} {} {} {LY} 5-Bromouracil {} {} {} {} {} {} {LY} 5-Bromouracil {} {} {} {} {} {} {} {LY} 5-Bromouracil {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 5-Bromouracil {} {} {} {} {} {} {} {} {} {LY} 5-Bromouracil {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 5-Bromouracil {} {} {} {} {} {} {} {} {} {} {} {LY} 5-Bromouracil {} {} {} {} {} {} {} {} {} {} {} {} {LY} 5-Bromouracil {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 5-Bromouracil {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 5-Bromouracil {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 5-Bromouracil {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 5-Bromouracil {} {} {} {} {} {} {} {} {} {} {} {}
MDL Number	MFCD00006017
EC Number	200-084-0
Beilstein Registry Number	127176
PubChem Substance ID	5802
Reaxys-RN	127176
Merck Number	1445
Alfabeta Name	BROMOPYRIMIDINEDIONE HH52413()---,,
Chemical Name Translation	5-溴尿嘧啶
Wiswesser Line Notation	T6MVMVJ EE
LabNetwork Molecule ID	LN00182350
InChI	InChI=1S/C4H3BrN2O2/c5-2-1-6-4(9)7-3(2)8/h1H,(H2,6,7,8,9)
Canonical SMILES	O=C1NC(C(Br)=CN1)=O

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产品应用

有突变活性，可插进DNA,抑制二氢脲嘧啶脱氢酶。

安全信息

Signal word Warning

GHS Symbol

WGK Germany3

Safety Statements

S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；

Risk Statements

R22 Harmful if swallowed 吞咽有害
R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
R46 May cause inheritable genetic damage 可能引起遗传基因损害
R68 Possible risk of irreversible effects 可能有不可挽回的作用的危险

Precautionary statements

P262 Do not get in eyes, on skin, or on clothing. 不要接触眼睛，皮肤或衣服。

Hazard statements

H302 Harmful if swallowed 吞食有害

Hazard Codes Xn

RTECSYQ9060000

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

Warnings IRRITANT

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1400 mg/kg
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
   Behavioral - muscle weakness
   Lungs, Thorax, or Respiration - dyspnea
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: 93,124,1956

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 1700 mg/kg
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
   Behavioral - muscle weakness
   Lungs, Thorax, or Respiration - dyspnea
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: 93,124,1956

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Escherichia coli
DOSE/DURATION           : 5000 ppm
REFERENCE :
   AGACBH Agents and Actions, A Swiss Journal of Pharmacology.  (Birkhaeuser
   Verlag, POB 133, CH-4010 Basel, Switzerland)  V.1-    1969/70-
   Volume(issue)/page/year: 4,286,1974

TYPE OF TEST            : DNA damage
TEST SYSTEM             : Bacteria - Escherichia coli
DOSE/DURATION           : 10 mg/L
REFERENCE :
   NATUAS Nature.  (Nature Subscription Dept., POB 1018, Manasguan, NJ 08736)
   V.1-    1869-  Volume(issue)/page/year: 188,62,1960

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Klebsiella pneumoniae
DOSE/DURATION           : 1 gm/L
REFERENCE :
   EXPEAM Experientia.  (Birkhaeuser Verlag, POB 133, CH-4010 Basel,
   Switzerland)  V.1-    1945-  Volume(issue)/page/year: 25,85,1969

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Salmonella typhimurium
DOSE/DURATION           : 300 mg/L
REFERENCE :
   SOGEBZ Soviet Genetics.  English translation of GNKAA5.  (Plenum Pub. C

TYPE OF TEST            : Sex chromosome loss and nondisjunction
ROUTE OF EXPOSURE       : Oral
TEST SYSTEM             : Insect - Drosophila melanogaster
DOSE/DURATION           : 1 gm/L
REFERENCE :
   20MYAU "Mechanism of Mutation and Inducing Factors, Proceedings of a
   Symposium, Prague, Czechoslovakia, 1965," Zdenck, L., ed., New York,
   Academic Press, Inc., 1966  Volume(issue)/page/year: -,301,1966

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Microorganism - not otherwise specified
DOSE/DURATION           : 50 mg/L
REFERENCE :
   SOGEBZ Soviet Genetics.  English translation of GNKAA5.  (Plenum Pub. Corp.,
   233 Spring St., New York, NY 10013)  V.2-    1966- Volume(issue)/page/year:
   6,1623,1970

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE                    : 400 mg/kg
SEX/DURATION            : female 12 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Effects on Newborn - viability index (e.g., # alive at day 4
   per # born alive)
REFERENCE :
   TCMUD8 Teratogenesis, Carcinogenesis, and Mutagenesis.  (Alan R. Liss, Inc.,
   41 E. 11th St., New York, NY 10003)  V.1-    1980- Volume(issue)/page/year:
   7,7,1987

Storage condition 2-8°C, sealed storage, away from moisture and light {LY} 2-8°C, sealed storage, away from moisture and light {} {LY} 2-8°C, sealed storage, away from moisture and light {} {} {LY} 2-8°C, sealed storage, away from moisture and light {} {} {} {LY} 2-8°C, sealed storage, away from moisture and light {} {} {} {} {LY} 2-8°C, sealed storage, away from moisture and light {} {} {} {} {} {LY} 2-8°C, sealed storage, away from moisture and light {} {} {} {} {} {} {LY} 2-8°C, sealed storage, away from moisture and light {} {} {} {} {} {} {} {LY} 2-8°C, sealed storage, away from moisture and light {} {} {} {} {} {} {} {} {LY} 2-8°C, sealed storage, away from moisture and light {} {} {} {} {} {} {} {} {} {LY} 2-8°C, sealed storage, away from moisture and light {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, sealed storage, away from moisture and light {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, sealed storage, away from moisture and light {} {} {} {}

其他信息

MSDS 信息:5-Bromo-2,4(1H,3H)-pyrimidinedione(51-20-7).msds
毒性分级:中毒
用途二:有突变活性，可插进DNA,抑制二氢脲嘧啶脱氢酶。
MOL 文件:51-20-7.mol
用途一:用于多肽合成，用作氨基酸保护单体。
急性毒性:腹腔-大鼠 LD50: 1700 毫克/公斤; 腹腔-小鼠 LD50: 1400 毫克/公斤
溶于冷水、氨水和其它碱。
5-溴尿嘧啶价格(试剂级):更新日期产品编号产品名称包装价格 2011/08/23 65003181 5-溴代尿嘧啶 5g 200元 2011/04/16 B0665 5-溴尿嘧啶 5-Bromouracil 25G 800元 2010/05/25 A14799 5-溴尿嘧啶, 98+% 5-Bromouracil, 98+% 5g 172元
海关编码:29335995
可燃性危险特性:热分解排出有毒氮氧化物和溴化物烟雾
Acros Organics:5-溴尿嘧啶 5-Bromouracil, 98%(51-20-7)
类别:有毒物品
下游产品:2-氯-4-二甲基氨基-5-溴嘧啶 --> 5-溴-2,4-二甲氧基嘧啶
储运特性:库房通风低温干燥
方法一:将L-丙氨酸悬浮于二氧六环溶液中，与叔丁氧羰基叠氮进行酰化反应得粗产品，再经重结晶精制而得。
Sigma Aldrich:51-20-7(sigmaaldrich)
TCI Shanghai:5-溴尿嘧啶 5-Bromouracil,>;98.0%(T)(51-20-7)
上游原料:1,4-二氧六环 --> L-丙氨酸
检测方法:HPLC,NMR
图谱信息:5-溴尿嘧啶(51-20-7)红外图谱(IR1) 5-溴尿嘧啶(51-20-7)质谱(MS) 5-溴尿嘧啶(51-20-7)核磁图( 1 HNMR) 5-溴尿嘧啶(51-20-7)红外图谱(IR2) 5-溴尿嘧啶(51-20-7)核磁图( 13 CNMR)
灭火剂:水,干粉、干砂、二氧化碳、泡沫、1211灭火剂
参考质量标准:含量不少于99%；mp为78-81℃；比旋光度[α] 20 D -24°--26°(0.5-2.0 mg/ml，乙酸)。
Alfa Aesar:5-溴尿嘧啶,98+% 5-Bromouracil, 98+%(51-20-7)