CAS: 75279-53-7; 4-Chloro-2-Fluorobenzeneacetonitrile

该化合物是一种多用途芳烃硝酰氟化合物,其分子式为C8H5ClFN.它是有机合成的关键中间体,特别是在制药,农用化学品和特殊化学品的制作方面.在苯环上存在氯和氟分元素会增加其回弹性,从而能够在交叉反应,核循环替代和循环化过程中选择性地发挥作用.其高纯度和稳定性使其适合在研究和工业环境中精确应用.该化合物的界定明确的结构和一贯性有助于其在生物活性分子和先进材料的开发中的用途.

英文名称4-Chloro-2-Fluorobenzeneacetonitrile
中文名称2-(4-氯-2-氟苯基)乙腈
IUPAC名称2-(4-chloro-2-fluorophenyl)acetonitrile
其它别名2-氟-4-氯苯基乙腈; 4-Chloro-2-Fluorophenylacetonitrile
CAS编号75279-53-7
MFCD编号:MFCD01312758
EINECS号:642-783-7
FDA UNII编号:XX6QFR93JR
分子式:C8H5ClFN
分子量:169.58
产品CID: 1744472
产品分类有机原料→分子砌块→芳环类化合物→苯类化合物

相似结构搜索
InChIKey: RTQOANCZEAIDEZ-UHFFFAOYSA-N
InChI=1S/C8H5ClFN/c9-7-2-1-6(3-4-11)8(10)5-7/h1-2,5H,3H2…
计算化学: 氢键受体数1.0氢键供体数0.0可旋转键数1.0

物理性质

熔点37-41°C
沸点133-137°C at 15 mmHg
闪点103.7±23.2 °C
密度1.3±0.1 g/cm3
PSA:23.79
LogP:2.54518
折射率1.528
蒸汽压0.0±0.5 mmHg at 25°C
外观形态类白色熔融固体
储存条件2-8°C
产品应用该化合物用于制备RG7388的中间体,是一种有选择性的P53-MDM2强效抑制剂.

MSDS等安全信息

GHS象形图
GHS符号GHS06;
注释: Skull and crossbones
危险类别急性毒性类别4(吸入)
急性毒性类别3(经皮)
急性毒性类别3(经口)
特定目标器官毒性 - 单次接触类别3
皮肤腐蚀/刺激类别2
严重眼刺激类别2
急性毒性类别4(经口)
水生慢性毒性类别3
急性毒性类别3(吸入)
警示词Danger(危险)
危险描述H332 |吸入有害.
H311 |皮肤接触会中毒.
H301 |吞咽会中毒.
H335 |可能引起呼吸道刺激.
H315 |造成皮肤刺激.
H319 |造成严重眼刺激.
H302 |吞咽有害.
H412 |对水生生物有害并具有长期持续影响.
H331 |吸入会中毒.
防范说明P264-P270-P330-P405-P501
危险等级6.1
UN编号3439.0
危险品标志T,C,Xn
风险等级Toxic
包装等级Ⅲ
安全声明26-36/37/39
危险类别码20/21/22-36/37/38

欧盟法规

REACH注册ECHA物质C&L通报

上下游产品

CAS号140-53-4 对氯苯乙腈 | CAS号188424-98-8 2-(4-氯-2-氟苯基)乙酸乙酯

合成工艺路线路线简述

2-氟-4-氯-苄氯以乙醇,水作为反应溶剂,化学反应生成 4-氯-2-氟苯乙腈
参考文献:Pyrimidin-4-One Derivatives,Their Intermediates For Their Production
标题:Pyrimidin-4-One Derivatives,Their Intermediates For Their Production
摘要:提供了式[1]的新型嘧啶-4-酮衍生物,其可作为除草剂的活性成分.其中,R.Sup.1为氢或烷基;r.Sup.2为烷基,可选用卤素取代;r.Sup.3为烷基,可选用卤素,烯基或炔基取代;q为取代苯基.同时提供了其中间体的生产方法和生产这些中间体的过程.

海关参考信息

2902600000-乙苯
2903919090-氯苯
2903991000-对氯甲苯
2926909090-其他腈基化合物
💡 提示：海关信息按照顺序优先匹配，如需确认的海关信息，请参考相关资料。
详情请参考：📖 海关编码查询和海关进出口税则

专利信息

专利号:US-9828340-B2
优先权日:2013-02-21
标题 :Asymmetric synthesis of a substituted pyrrolidine-2-carboxamide
发明人：FISHLOCK DANIEL; GU CHEN; SHU LIANHE; REGE PANKAJ DEVDATTA; SARMA KESHAB
权利人:HOFFMANN LA ROCHE
摘要:The invention relates to a process for the preparation of 4-{[(2R,3S,4R,5S)-3-(3-chloro-2-fluoro-phenyl)-4-(4-chloro-2-fluoro-phenyl)-4-cyano-5-(2,2-dimethyl-propyl)-pyrrolidine-2-carbonyl]-amino}-3-methoxy-benzoic acid of the formula (I) n nas well as intermediates thereof and pharmaceutical preparations thereof, comprising the step of reacting a compound of the formula (IV) with a compound of the formula (V), as defined in the specification, in the presence of a chiral silver- or copper catalyst.

专利号:US-4369322-A
优先权日:1978-12-15
标题 :Process for the production of substituted acetonitriles
发明人：SCHALKE PETER; KLEEMANN AXEL
权利人:DEGUSSA
摘要:The known synthesis for the production of aromatic substituted acetonitriles by reaction of aromatic substances with cyanogen chloride in the gas phase is improved by feeding the starting materials in gaseous form and separated from each other into the reactor. The process can be used to synthesize in general aromatic and especially hetero-aromatic substituted acetonitrile.

专利号:CA-2894826-C
优先权日:2013-02-21
标题:Asymmetric synthesis of a substituted pyrrolidine-2-carboxamide

专利号:US-2016002158-A1
优先权日:2013-02-21
标题 :Asymmetric synthesis of a substituted pyrrolidine-2-carboxamide

专利号:AU-2014220865-A1
优先权日:2013-02-21
标题 :Asymmetric synthesis of a substituted pyrrolidine-2-carboxamide

专利号:AU-2014220865-B2
优先权日:2013-02-21
标题 :Asymmetric synthesis of a substituted pyrrolidine-2-carboxamide