CAS 3672-47-7 MFCD00067889-3-(4-Methoxyphenyl)-3-oxopropanenitrile 4-甲氧基苯甲酰基乙腈 TAO{mole}

3-(4-Methoxyphenyl)-3-oxopropanenitrile 4-甲氧基苯甲酰基乙腈

CAS 3672-47-7 MFCD00067889

化学结构图

SMILES: COc1ccc(C(=O)CC#N)cc1

化学属性

Mol. Formula	C10H9NO2
Mol. Weight	175.19
Melting Point	129-133°C
TSCA	No
Boiling Point	364.4°C at 760 mmHg
Flash Point	159.3°C

别名和识别编码

Chemical Name	4-Methoxybenzoylacetonitrile
CAS Number	3672-47-7
Alfabeta Name	METHOXYPHENYLOXOPROPANENITRILE 343()----
MDL Number	MFCD00067889
EC Number	000-000-0
Beilstein Registry Number	743909
Synonym	3-(4-Methoxyphenyl)-3-oxopropanenitrile {LY} 3-(4-Methoxyphenyl)-3-oxopropanenitrile {} {LY} 3-(4-Methoxyphenyl)-3-oxopropanenitrile {} {} {LY} 3-(4-Methoxyphenyl)-3-oxopropanenitrile {} {} {} {LY} 3-(4-Methoxyphenyl)-3-oxopropanenitrile {} {} {} {} {LY} 3-(4-Methoxyphenyl)-3-oxopropanenitrile {} {} {} {} {} {LY} 3-(4-Methoxyphenyl)-3-oxopropanenitrile {} {} {} {} {} {} {LY} 3-(4-Methoxyphenyl)-3-oxopropanenitrile {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-(4-Methoxyphenyl)-3-oxopropanenitrile {} {} {} {} {} {} {} {} {LY} 3-(4-Methoxyphenyl)-3-oxopropanenitrile {} {} {} {} {} {} {} {} {} {LY} 3-(4-Methoxyphenyl)-3-oxopropanenitrile {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-(4-Methoxyphenyl)-3-oxopropanenitrile {} {} {} {} {} {} {} {} {} {} {} {LY} 3-(4-Methoxyphenyl)-3-oxopropanenitrile {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-(4-Methoxyphenyl)-3-oxopropanenitrile {} {} {} {} {} {} {} {} {} {
PubChem Substance ID	233398
Chemical Name Translation	4-甲氧基苯甲酰基乙腈
LabNetwork Molecule ID	LN00150015
InChI	InChI=1S/C10H9NO2/c1-13-9-4-2-8(3-5-9)10(12)6-7-11/h2-5H,6H2,1H3
Canonical SMILES	COC1=CC=C(C=C1)C(=O)CC#N

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

安全信息

Warnings IRRITANT

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）；
S20 When using do not eat or drink 使用时，不得进食，饮水；
S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套；
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；
S60 This material and its container must be disposed of as hazardous waste 该物质及其容器必须作为危险废物处置；

Risk Statements

R20/21/22 Harmful by inhalation, in contact with skin and if swallowed 吸入、皮肤接触和不慎吞咽有害
R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
R22 Harmful if swallowed 吞咽有害
R25 Toxic if swallowed 吞咽有毒

WGK Germany3

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

Hazard Codes Xn Xn,T

Packing GroupIII

UN Number 3276

Hazard statements

H302 Harmful if swallowed 吞食有害
H312 Harmful in contact with skin 皮肤接触有害
H315 Causes skin irritation 会刺激皮肤
H319 Causes serious eye irritation 严重刺激眼睛
H332 Harmful if inhaled 吸入有害
H335 May cause respiratory irritation 可能导致呼吸道刺激

Precautionary statements

P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
P264+P265
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。
P271 Use only outdoors or in a well-ventilated area.? 只能在室外或通风良好的地方使用。
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+P312
P301+P317
P302+P352
P304+P312
P304+P340
P305+P351+P338
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。
P317
P319
P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
P322 Specific measures (see …on this label). 具体治疗（见本标签上的）。
P330 Rinse mouth. 漱口
P332+P313
P332+P317
P337+P313
P337+P317
P362 Take off contaminated clothing and wash before reuse. 脱掉污染的衣服，清洗后方可重新使用
P362+P364
P363 Wash contaminated clothing before reuse. 被污染的衣服洗净后方可重新使用。
P403+P233
P405 Store locked up. 上锁保管。
P501 Dispose of contents/container to..… 处理内容物/容器.....

Storage condition -20°C {LY} -20°C {} {LY} -20°C {} {} {LY} -20°C {} {} {} {LY} -20°C {} {} {} {} {LY} -20°C {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} -20°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 Donors

H-bond Acceptors

Rotatable Bonds

LogP

其他信息

图谱信息:4-甲氧基苯甲酰基乙腈(3672-47-7)核磁图( 1 HNMR) 4-甲氧基苯甲酰基乙腈(3672-47-7)核磁图( 13 CNMR) 4-甲氧基苯甲酰基乙腈(3672-47-7)质谱(MS) 4-甲氧基苯甲酰基乙腈(3672-47-7)红外图谱(IR2) 4-甲氧基苯甲酰基乙腈(3672-47-7)红外图谱(IR1)
Acros Organics:4-甲氧基苄氧基乙腈 4-Methoxybenzoylacetonitrile, 99%(3672-47-7)
4-甲氧基苯甲酰基乙腈价格(试剂级):更新日期产品编号产品名称包装价格 2010/06/21 355830010 4-甲氧基苯甲酰基乙腈 4-Methoxybenzoylacetonitrile 99% 1 GR 337元 2010/05/25 A15973 4-甲氧基苯甲酰乙腈, 98% 4-Methoxybenzoylacetonitrile, 98% 5g 1820元 2010/05/25 A15973 4-甲氧基苯甲酰乙腈, 98% 4-Methoxybenzoylacetonitrile, 98% 25g 7224元
Sigma Aldrich:3672-47-7(sigmaaldrich)
MOL 文件:3672-47-7.mol
Alfa Aesar:4-甲氧基苯甲酰乙腈,98% 4-Methoxybenzoylacetonitrile, 98%(3672-47-7)