CAS 65-71-4 MFCD00006026-5-Methylpyrimidine-2,4(1H,3H)-dione 5-甲基尿嘧啶 TAO{mole}

5-Methylpyrimidine-2,4(1H,3H)-dione 5-甲基尿嘧啶

CAS 65-71-4 MFCD00006026

化学结构图

SMILES: Cc1c[nH]c(=O)[nH]c1=O

化学属性

Mol. Formula	C5H6N2O2
Mol. Weight	126.11
Density	1.226
Melting Point	316°C
TSCA	Yes
Stability	对光敏感
Appearance	白色结晶粉末，常温难溶于水，微溶于醇，溶于碱液、酸、甲酰胺，DMF及吡啶。熔点320-330℃。
Solubility	Soluble in 1M Sodium hydroxide (50 mg/ml).
Boiling Point	234.21 °C at 760 mmHg

别名和识别编码

Chemical Name	5-Methylpyrimidine-2,4(1H,3H)-dione
Synonym	Thymine {LY} Thymine {} {LY} Thymine {} {} {LY} Thymine {} {} {} {LY} Thymine {} {} {} {} {LY} Thymine {} {} {} {} {} {LY} Thymine {} {} {} {} {} {} {LY} Thymine {} {} {} {} {} {} {} {LY} Thymine {} {} {} {} {} {} {} {} {LY} Thymine {} {} {} {} {} {} {} {} {} {LY} Thymine {} {} {} {} {} {} {} {} {} {} {LY} Thymine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Thymine {} {} {} {} {} {} {} {} {} {} {} {} {LY} Thymine {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Thymine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Thymine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Thymine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Thymine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Thymine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Thymine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
MDL Number	MFCD00006026
CAS Number	65-71-4
EC Number	200-616-1
Beilstein Registry Number	117880
PubChem Substance ID	87576220
Merck Number	9398
Reaxys-RN	607626
Chemical Name Translation	5-甲基尿嘧啶
InChIKey	RWQNBRDOKXIBIV-UHFFFAOYSA-N
Wiswesser Line Notation	T6N CNJ BQ DQ E1
LabNetwork Molecule ID	LN00153399
Canonical SMILES	O=C1NC(C(C)=CN1)=O

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产品应用

A nucleobase found in deoxyribonucleic acids (DNA).

安全信息

Signal word Warning

GHS Symbol

WGK Germany2

Safety Statements

S22 Do not breathe dust 不要吸入粉尘；
S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；
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；
S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、手套和眼睛/面保护；

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
R36 Irritating to eyes 刺激眼睛

Precautionary statements

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。
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

RTECSXP2100000

Personal Protective Equipment Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Hazard statements

H303 May be harmfully swallowed 吞食可能有害

Storage condition 2-8°C {LY} 2-8°C Store at RT. {} {LY} 2-8°C {} {} {LY} 2-8°C {} {} {} {LY} 2-8°C {} {} {} {} {LY} 2-8°C {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C

Hazard Codes Xi

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 3500 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JAPMA8 Journal of the American Pharmaceutical Association, Scientific
   Edition.  (Washington, DC) V.29-49, 1940-60.  For publisher information, see
   JPMSAE.  Volume(issue)/page/year: 44,56,1955

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   ANYAA9 Annals of the New York Academy of Sciences.  (New York Academy of
   Sciences, 2 E. 63rd St., New York, NY 10021)  V.1-    1877-
   Volume(issue)/page/year: 60,251,1954

TYPE OF TEST            : Phage inhibition capacity
TEST SYSTEM             : Bacteria - Escherichia coli
DOSE/DURATION           : 1 gm/L
REFERENCE :
   ZAPOAK Zeitschrift fuer Allgemeine Mikrobiologie.  (Akademie-Verlag GmbH,
   Postfach 1233, Berlin DDR-1086 Ger. Dem. Rep.)  V.1-    1960-
   Volume(issue)/page/year: 12,583,1972

其他信息

用途一:5-甲基嘧啶是遗传物质的重要组成部分，是合成抗艾滋病药物AZT、DDT及相关药物的关键中间体，也是合成抗肿瘤，抗病毒药物β-胸苷的起始原料。
图谱信息:5-甲基脲嘧啶(65-71-4)质谱(MS) 5-甲基脲嘧啶(65-71-4)红外图谱(IR2) 5-甲基脲嘧啶(65-71-4)核磁图( 1 HNMR) 5-甲基脲嘧啶(65-71-4)Raman光谱 5-甲基脲嘧啶(65-71-4)红外图谱(IR1) 5-甲基脲嘧啶(65-71-4)核磁图( 13 CNMR)
用途二:胸腺嘧啶是遗传物质的重要组成部分，是合成抗艾滋病药物AZT、DDT及相关药物的关键中间体，也是合成抗肿瘤，抗病毒药物β-胸苷的起始原料。
Acros Organics:胸腺嘧啶 Thymine, 99%(65-71-4)
Sigma Aldrich:65-71-4(sigmaaldrich)
Alfa Aesar:胸腺嘧啶,97% Thymine, 97%(65-71-4)
上游原料:乙醇 --> 盐酸 --> 甲醇 --> 乙酸 --> 尿素 --> 甲基丙烯酸甲酯 --> 乙酸丁酯
MOL 文件:65-71-4.mol
5-甲基脲嘧啶价格(试剂级):更新日期产品编号产品名称包装价格 2011/08/23 65012232 胸腺嘧啶;5-甲基尿嘧啶;2,4-二羟基-5-甲基嘧啶;胸腺素;胸腺间氮苯 5g 49.6元 2011/04/16 T0234 胸腺嘧啶 Thymine 25G 315元 2011/04/16 T0234 胸腺嘧啶 Thymine 5G 90元
易溶于碱液并成盐，溶于酸、甲酰胺，DMF及吡啶。溶于热水，微溶于冷水、乙醇、乙醚。335～337℃分解。
检测方法:HPLC,NMR
MSDS 信息:5-Methyluracil(65-71-4).msds
TCI Shanghai:胸腺嘧啶 Thymine,>;98.0%(LC)(T)(65-71-4)