CAS 5457-28-3 MFCD00022717-3-Cyanoindole 3-氰基吲哚 -LabNovo

3-Cyanoindole 3-氰基吲哚

CAS 5457-28-3 MFCD00022717

化学结构图

SMILES: N#Cc1c[nH]c2ccccc12

化学属性

Mol. Formula	C9H6N2
Mol. Weight	142.16
Density	1.422
Melting Point	179-182°C
TSCA	No
Stability	对光敏感
Appearance	玫瑰红结晶。熔点177-178℃，在160-165℃（0.2kPa）升华。溶于乙醇、丙醇，不溶于水。
Boiling Point	350°C at 760 mmHg

别名和识别编码

Chemical Name	3-Cyanoindole
CAS Number	5457-28-3
Alfabeta Name	INDOLECARBONITRILE H13---
MDL Number	MFCD00022717
EC Number	000-000-0
Beilstein Registry Number	120888
Synonym	1H-Indole-3-carbonitrile {LY} 1H-Indole-3-carbonitrile {} {LY} 1H-Indole-3-carbonitrile {} {} {LY} 1H-Indole-3-carbonitrile {} {} {} {LY} 1H-Indole-3-carbonitrile {} {} {} {} {LY} 1H-Indole-3-carbonitrile {} {} {} {} {} {} {} {} {} {} {LY} 1H-Indole-3-carbonitrile {} {} {} {} {} {} {LY} 1H-Indole-3-carbonitrile {} {} {} {} {} {} {} {LY} 1H-Indole-3-carbonitrile {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {LY} 1H-Indole-3-carbonitrile {} {} {} {} {} {} {} {} {} {LY} 1H-Indole-3-carbonitrile {} {} {} {} {} {} {} {} {} {} {LY} 1H-Indole-3-carbonitrile {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1H-Indole-3-carbonitrile {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1H-Indole-3-carbonitrile {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1H-Indole-3-carbonitrile {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1H-Indole-3-carbonitrile {} {} {} {} {} {} {} {} {} {} {
PubChem Substance ID	230282
Chemical Name Translation	3-氰基吲哚
LabNetwork Molecule ID	LN00175060
InChI	InChI=1S/C9H6N2/c10-5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,11H
Canonical SMILES	C1=CC=CC2=C1[NH]C=C2C#N

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安全信息

Warnings IRRITANT

Signal word Warning

GHS Symbol

WGK Germany3

Safety Statements

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；
S37/39 Wear suitable gloves and eye/face protection 穿戴适当的手套和眼睛/面保护；

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

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。
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
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。
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
P337+P313
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
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.....

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

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

Storage condition Store at room temperature {LY} Store at room temperature {} {LY} Store at room temperature {} {} {LY} Store at room temperature {} {} {} {LY} Store at room temperature {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature

Hazard Codes Xn

Packing GroupIII

Hazard Class6.1

UN Number 3439

其他信息

Acros Organics:3-氰基吲哚 3-Cyanoindole, 98%(5457-28-3)
MOL 文件:5457-28-3.mol
Alfa Aesar:吲哚-3-甲腈,98% Indole-3-carbonitrile, 98%(5457-28-3)
用途一:用于有机合成。
上游原料:磷酸氢二铵 --> 3-吲哚甲醛
3-氰基吲哚价格(试剂级):更新日期产品编号产品名称包装价格 2010/06/21 RF01264EA 3-氰基吲哚 1H-indole-3-carbonitrile 10 GR 2910元 2010/06/21 306090050 3-氰基吲哚 3-Cyanoindole 98% 5 GR 1661元 2010/06/21 RF01264DA 3-氰基吲哚 1H-indole-3-carbonitrile 1 GR 375元
敏感性:Air & Light Sensitive
Sigma Aldrich:5457-28-3(sigmaaldrich)
检测方法:HPLC,NMR
方法一:由吲哚-3-甲醛经下述过程制得。将吲哚-3-甲醛、磷酸氢二铵、硝基丙烷和冰醋酸混合，回流12.5h，常压蒸馏，蒸出溶剂和低沸物。加入过量的水沉淀出粗吲哚-3-甲腈，过滤出的粗品用丙酮-己烷溶剂重结晶、活性炭脱色得到纯品。