CAS 621-79-4 MFCD00008033-Cinnamamide, Predominantly trans 肉桂酰胺 TAO{mole}

Cinnamamide, Predominantly trans 肉桂酰胺

CAS 621-79-4 MFCD00008033

化学结构图

SMILES: NC(=O)/C=C/c1ccccc1

化学属性

Mol. Formula	C9H9NO
Mol. Weight	147.17
Melting Point	148-150°C
TSCA	Yes
Appearance	白色结晶。熔点147℃。不溶于冷水，微溶于热水，溶于乙醚和二硫化碳。
Density	1.121
Boiling Point	350.3°C at 760 mmHg

别名和识别编码

Chemical Name	Cinnamamide, Predominantly trans
CAS Number	621-79-4
Alfabeta Name	PHENYLACRYLAMIDE 3-
MDL Number	MFCD00008033
Synonym	Cinnamamide {LY} Cinnamamide {} {LY} Cinnamamide {} {} {LY} Cinnamamide {} {} {} {LY} Cinnamamide {} {} {} {} {LY} Cinnamamide {} {} {} {} {} {LY} Cinnamamide {} {} {} {} {} {} {LY} Cinnamamide {} {} {} {} {} {} {} {LY} Cinnamamide {} {} {} {} {} {} {} {} {LY} Cinnamamide {} {} {} {} {} {} {} {} {} {LY} Cinnamamide {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Cinnamamide {} {} {} {} {} {} {} {} {} {} {} {LY} Cinnamamide {} {} {} {} {} {} {} {} {} {} {} {} {LY} Cinnamamide {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Cinnamamide {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Cinnamamide {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Cinnamamide {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Cinnamamide {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Cinnamamide {} {} {} {} {} {} {} {} {}
EC Number	210-707-8
Beilstein Registry Number	2040577
PubChem Substance ID	5273472
Chemical Name Translation	肉桂酰胺
Reaxys-RN	2040577
Wiswesser Line Notation	ZV1U1R
InChIKey	APEJMQOBVMLION-VOTSOKGWSA-N
InChI	InChI=1S/C9H9NO/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H2,10,11)/b7-6+
Canonical SMILES	O=C(N)/C=C/C1=CC=CC=C1

信息真实价格透明资金保障专业采购外包团队在线服务

品牌质保精细包装现货库存一流品牌服务

产品应用

用于有机合成中间体。

安全信息

Warnings IRRITANT

RTECSGD6853000

Safety Statements

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

Risk Statements

R22 Harmful if swallowed 吞咽有害

WGK Germany3

GHS Symbol

Signal word Warning

Hazard statements

H302 Harmful if swallowed 吞食有害

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

Hazard Codes Xn

Precautionary statements

P262 Do not get in eyes, on skin, or on clothing. 不要接触眼睛，皮肤或衣服。
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。
P301+P312+P330
P501 Dispose of contents/container to..… 处理内容物/容器.....

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 62 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   COREAF Comptes Rendus Hebdomadaires des Seances, Academie des Sciences.
   (Paris, France)  V.1-261, 1835-1965.  For publisher information, see CRASEV.
    Volume(issue)/page/year: 153,895,1911

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1600 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   CHTPBA Chimica Therapeutica.  (Paris, France)  V.1-8, 1965-73.  For
   publisher information, see EJMCA5.  Volume(issue)/page/year: 8,202,1973

Storage condition 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 {} {} {} {} {} {} {} {} {} {} {}

药物吸收、分布、代谢与排泄(ADME)

Lipinski's Rule of 3

Lipinski's Rule of 5

H-bond Acceptors

Rotatable Bonds

H-bond Donors

LogP

其他信息

上游原料:氧氯化硫 --> 肉桂酰氯
Acros Organics:肉桂酰胺 Cinnamamide, predominantly trans, 97%(621-79-4)
肉桂酰胺价格(试剂级):更新日期产品编号产品名称包装价格 2010/06/21 110360050 肉桂酰胺 Cinnamamide 97%, predominantly trans 5 GR 353元 2010/06/21 110360250 肉桂酰胺 Cinnamamide 97%, predominantly trans 25 GR 1084元 2010/05/25 A13429 肉桂酰胺, predominantly trans, 97% Cinnamamide, predominantly trans, 97% 25g 1120元
用途一:用于有机合成中间体。
Alfa Aesar:肉桂酰胺,predominantlytrans,97% Cinnamamide, predominantly trans, 97%(621-79-4)
方法一:由肉桂酸经氯化、酰氨化而得。使用桂酸和二氯亚砜在60-70℃反应3-4h，得粗品，将粗品减压蒸馏得肉桂酰氯。再把肉桂酰氯慢慢加到30℃以下的浓氨水中，在30℃以下搅拌反应1h。放置24h，倒入大量的蒸馏水中，离心甩干、水洗、用稀乙醇重结晶而得成品。
MOL 文件:621-79-4.mol
MSDS 信息:Cinnamamide(621-79-4).msds
不溶于冷水，微溶于热水，溶于乙醚和二硫化碳。
Sigma Aldrich:621-79-4(sigmaaldrich)