CAS 591-08-2 MFCD00004937-N-ACETYLTHIOUREA 乙酰替硫脲 TAO{mole}

N-ACETYLTHIOUREA 乙酰替硫脲

CAS 591-08-2 MFCD00004937

化学结构图

SMILES: CC(=O)NC(N)=S

化学属性

Mol. Formula	C3H6N2OS
Mol. Weight	118.16
Melting Point	164-165ºC
TSCA	Yes
Appearance	浅黄色结晶。熔点165℃，溶于热水，乙醇，氢氧化钠稀溶液，微溶于冷水和乙醚。
Boiling Point

别名和识别编码

Chemical Name	N-ACETYLTHIOUREA
Synonym	1-ACETYL-2-THIOUREA 1-ACETYLTHIOUREA 1-Acetyl-2-thiocarbamide 1-Acetyl-2-thiourea 1-Acetylthiourea 1-acetyl-2-thio-ure 1-乙酰-2-硫脲 ACETYLTHIOUREA Acetamide, N-(aminothioxomethyl)- Acetothiourea Acetyl thiourea Acetyl-thiourea Acetylthiocarbamide LABOTEST-BB LT00000307 N-(Thiocar-hamyl)acetamide N-(胺甲硫羰醯胺)乙醯胺 N-ACETYLTHIOUREA N-Acetyl-2-thiourea N-Acetylthiocarbamide N-Acetylthioharnstoff N-Acetylthiourea {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
PubChem Substance ID	87561811
EC Number	209-699-9
Beilstein Registry Number	3(4)354
MDL Number	MFCD00004937
CAS Number	591-08-2
Chemical Name Translation	乙酰替硫脲
Wiswesser Line Notation	SUYZMV1
LabNetwork Molecule ID	LN00841300
Reaxys-RN	969960
InChI	InChI=1S/C3H6N2OS/c1-2(6)5-3(4)7/h1H3,(H3,4,5,6,7)

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安全信息

GHS Symbol

WGK Germany3

Hazard statements

H300 Fatal if swallowed 吞食致命

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

RTECSYR7700000

Precautionary statements

P201 Obtain special instructions before use. 使用前获取专门指示。
P202 Do not handle until all safety precautions have been read and understood. 已阅读并理解所有的安全预防措施之前，切勿操作。
P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
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。
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。
P301+P310
P301+P310+P330
P308+P313
P405 Store locked up. 上锁保管。
P501 Dispose of contents/container to..… 处理内容物/容器.....

Signal word Danger

Safety Statements

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）；
S36 Wear suitable protective clothing 穿戴适当的防护服；
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；

Packing GroupII

UN Number 2811 UN 2811 6.1/PG 2 UN2811

Risk Statements

R25 Toxic if swallowed 吞咽有毒

Hazard Codes T

Hazard Class6.1

Restrict 剧毒化学品

Warnings 危化品目录(2015) 危险化学品

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 50 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JPETAB Journal of Pharmacology and Experimental Therapeutics.  (Williams &
   Wilkins Co., 428 E. Preston St., Baltimore, MD 21202)  V.1-    1909/10-
   Volume(issue)/page/year: 90,260,1947

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 100 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   NTIS** National Technical Information Service.  (Springfield, VA 22161)
   Formerly U.S. Clearinghouse for Scientific & Technical Information.
   Volume(issue)/page/year: AD277-689

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 400 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JPETAB Journal of Pharmacology and Experimental Therapeutics.  (Williams &
   Wilkins Co., 428 E. Preston St., Baltimore, MD 21202)  V.1-    1909/10-
   Volume(issue)/page/year: 97,478,1949

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 94 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   AECTCV Archives of Environmental Contamination and Toxicology.
   (Springer-Verlag New York, Inc., Service Center, 44 Hartz Way, Secaucus, NJ
   070944)  V.1-    1973-  Volume(issue)/page/year: 14,111,1985

Storage condition -20 -20°C -20℃

其他信息

MOL 文件:591-08-2.mol
储运特性:库房通风低温干燥
可燃性危险特性:可燃; 加热分解释放有毒硫氧化物,氮氧化物烟雾
毒性分级:高毒
Sigma Aldrich:591-08-2(sigmaaldrich)
Hazard Note:Highly Toxic
上游原料:乙酰氯 --> 硫脲 --> 三口烧瓶
Alfa Aesar:N-乙酰基硫脲,99+% N-Acetylthiourea, 99+%(591-08-2)
用途一:有机合成。
灭火剂:干粉、泡沫、砂土、二氧化碳, 雾状水
图谱信息:N-乙酰硫脲(591-08-2)红外图谱(IR1) N-乙酰硫脲(591-08-2)红外图谱(IR2) N-乙酰硫脲(591-08-2)质谱(MS)
方法一:由硫脲和乙酰氯反应而得。在带回流冷凝器的三口烧瓶中，加入38g硫脲，40g乙酰氯及500ml甲苯。在油浴上搅拌回流16h(不再放出氯化氢为止)蒸除甲苯，剩余物用其三倍的乙醇重结晶。得产品19g，熔点163-165℃,产率34%。
类别:有毒物品
急性毒性:口服-大鼠 LD50：50 毫克/公斤；口服-小鼠 LD50:94 毫克/公斤