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3-(4-Chlorobutyl)indole-5-carbonitrile | 143612-79-7

Product Name:3-(4-Chlorobutyl)indole-5-carbonitrile

CAS No:143612-79-7
MF:C13H13N2Cl
MW:232.70872
MDL:MFCD43612797
CID:108430
PubChem ID:354333605
Names and Identifiers
  • 3-(4-Chlorobutyl)-1H-indole-5-carbonitrile
  • 1H-Indole-5-carbonitrile,3-(4-chlorobutyl)-
  • 3-(4-Chlorbutyl)-1H-indol-5-carbonitril
  • 3-(4-Chlorobutyl)indole-5-carbonitrile
  • 3-(4-chloro-butyl)-5-cyanoindole
  • 3-(4-chlorobutyl)-5-cyanoindole
  • Vilazodone Intermediate
  • SY029478
  • A850798
  • 3-(4-chlorobutyl)-1H-indole-5-carbonitrile
  • SCHEMBL3082624
  • UNII-L6DNG55PBH
  • J-510671
  • CL3519
  • BCP06422
  • 3-(4-chlorobutyl)-1H-indol-5-carbonitrile
  • C3086
  • 1H-Indole-5-carbonitrile, 3-(4-chlorobutyl)-
  • FT-0696598
  • A1-00284
  • NJJWMEJWFYRORL-UHFFFAOYSA-N
  • AM20020489
  • 3-(4-chlorobutyl)indole-5-carbonitrile
  • MFCD09833261
  • AS-19269
  • DTXSID70432273
  • AKOS015924756
  • L6DNG55PBH
  • 143612-79-7
  • CS-M1251
  • AC-25875
  • MDL:MFCD43612797
  • InChIKey:NJJWMEJWFYRORL-UHFFFAOYSA-N
  • Inchi:InChI=1S/C13H13ClN2/c14-6-2-1-3-11-9-16-13-5-4-10(8-15)7-12(11)13/h4-5,7,9,16H,1-3,6H2
  • SMILES:N#CC1=CC2=C(NC=C2CCCCCl)C=C1
Chemical and Physical Properties

Computed Properties

  • 精确分子量: 233.08700
  • 氢键供体数量: 1
  • 氢键受体数量: 2
  • 可旋转化学键数量: 4
  • 同位素质量: 232.0767261g/mol
  • 重原子数量: 16
  • 复杂度: 270
  • 同位素原子数量: 0
  • 确定原子立构中心数量: 0
  • 不确定原子立构中心数量: 0
  • 确定化学键立构中心数量: 0
  • 不确定化学键立构中心数量: 0
  • 共价键单元数量: 1
  • 疏水参数计算参考值(XlogP): 2.5
  • 拓扑分子极性表面积: 39.6Ų

Experimental Properties

  • LogP: 4.26330
  • PSA: 62.30000
  • 沸点: 448.1±35.0°C at 760 mmHg
  • 熔点: 98.0 to 102.0 deg-C
  • 闪点: 224.8±25.9 °C
  • 颜色与性状: Powder
  • 密度: 1.22
Security Information
  • Symbol: GHS07
  • 安全说明:H303吞入可能有害+H313皮肤接触可能有害+H333吸入可能对身体有害
  • 危害声明:H302+H312+H332-H315-H319
  • 警示性声明:P261-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-P305+P351+P338+P337+P313-P501
  • 提示语:警告
  • 储存条件:Store at room temperature
  • 信号词:Warning
Customs Data
  • 海关编码:2933990090
  • 海关数据:

    中国海关编码:

    2933990090

    概述:

    2933990090. 其他仅含氮杂原子的杂环化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%

    申报要素:

    品名, 成分含量, 用途, 乌洛托品请注明外观, 6-己内酰胺请注明外观, 签约日期

    Summary:

    2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Price Data Available
Brand:xlsw Supplier:云南西力生物技术股份有限公司
No. Purity Stock Specification Price update time operate
BBP80477-5mg 98.0% 5mg ¥230 07 May. 2021
BBP80477-20mg 98.0% 20mg ¥300 19 Sep. 2023
Brand:chemenu Supplier:Chemenu
No. Purity Stock Specification Price update time operate
CM109381-5g 95%+ in stock 5g $*** 30 Mar. 2023
CM109381-10g 95%+ in stock 10g $*** 30 Mar. 2023
CM109381-25g 95%+ in stock 25g $*** 30 Mar. 2023
CM109381-100g 95%+ 3-4 Weeks 100g $561/ ¥4,074.66 06 Aug. 2021
CM109381-25g 95%+ 3-4 Weeks 25g $204/ ¥1,481.69 06 Aug. 2021
Brand:enovation Supplier:eNovation Chemicals LLC
No. Purity Stock Specification Price update time operate
D380009-5g 97% 5g $490/ ¥3,558.97 03 Sep. 2023
D380009-1kg 97% 1kg $4300/ ¥31,231.76 03 Sep. 2023
Y0983067-25g 95% 25g $200/ ¥1,452.64 03 Sep. 2023
Y1219811-100g 97% 100g $2800/ ¥20,336.96 03 Sep. 2023
Y1219811-25g 97% 25g $900/ ¥6,536.88 03 Sep. 2023
Y1219811-5g 97% 5g $300/ ¥2,178.96 03 Sep. 2023
K05847-25g 98% 25g $235/ ¥1,706.85 17 May. 2023
K05847-10g 98% 10g $170/ ¥1,234.74 17 May. 2023
K05847-1g >97% 1g $695/ ¥5,047.92 01 Nov. 2022
K13850-5g 98% 5g $1890/ ¥13,727.45 03 Sep. 2023
K13850-1g 98% 1g $550/ ¥3,994.76 03 Sep. 2023
Brand:研峰科技 Supplier:研峰科技(北京)有限公司
No. Purity Stock Specification Price update time operate
H25852-1g 95% 暂无库存 1g ¥140 19 Sep. 2023
H25852-5g 95% 暂无库存 5g ¥470 19 Sep. 2023
H25852-25g 95% 暂无库存 25g ¥1580 19 Sep. 2023
Brand:abcr Supplier:abcr
No. Purity Stock Specification Price update time operate
AB446972-1g 1g €93.80/ ¥680.16 03 Sep. 2023
AB446972-5g 5g €168.30/ ¥1,220.38 03 Sep. 2023
AB446972-10g 10g €229.40/ ¥1,663.43 03 Sep. 2023
AB446972-25g 25g €362.00/ ¥2,624.93 03 Sep. 2023
AB446972-10 g 10g €229.40/ ¥1,663.43 18 Jul. 2023
AB446972-25 g 25g €362.00/ ¥2,624.93 18 Jul. 2023
AB446972-5 g 5g €168.30/ ¥1,220.38 18 Jul. 2023
AB446972-1 g 1g €93.80/ ¥680.16 18 Jul. 2023
Brand:aaron Supplier:Aaron
No. Purity Stock Specification Price update time operate
AR00ADES-100g 98% In China Stock 100g $431.00/ ¥3,130.44 16 Dec. 2023
AR00ADES-25g 98% In China Stock 25g $112.00/ ¥813.48 16 Dec. 2023
AR00ADES-10g 98% In China Stock 10g $56.00/ ¥406.74 16 Dec. 2023
AR00ADES-5g 98% In China Stock 5g $39.00/ ¥283.26 16 Dec. 2023
AR00ADES-1g 98% In China Stock 1g $12.00/ ¥87.16 16 Dec. 2023
AR00ADES-250mg 98% In China Stock 250mg $7.00/ ¥50.84 16 Dec. 2023
Brand:a2bchem Supplier:A2B Chem LLC
No. Purity Stock Specification Price update time operate
AE82840-25g 97% in stock 25g $135.00/ ¥980.53 04 Jan. 2024
AE82840-5g 97% in stock 5g $125.00/ ¥907.90 04 Jan. 2024
AE82840-1g >97.0%(GC) in stock 1g $52.00/ ¥377.69 04 Jan. 2024
AE82840-25mg 98%(HPLC) in stock 25mg $30.00/ ¥217.90 04 Jan. 2024
Brand:1pchem Supplier:1PlusChem
No. Purity Stock Specification Price update time operate
1P00AD6G-25g 97% In Stock USA 25g $154.00/ ¥1,118.53 21 Dec. 2023
1P00AD6G-5g 97% In Stock USA 5g $125.00/ ¥907.90 21 Dec. 2023
1P00AD6G-1g >97.0%(GC) In Stock USA 1g $63.00/ ¥457.58 21 Dec. 2023
1P00AD6G-25mg 98%(HPLC) In Stock USA 25mg $45.00/ ¥326.84 21 Dec. 2023
Brand:TCI Supplier:梯希爱(上海)化成工业发展有限公司
No. Purity Stock Specification Price update time operate
C3086-5G >97.0%(GC) 上海:/天津:/日本:19 5g ¥990.00 14 Jun. 2023
C3086-1G >97.0%(GC) 上海:/天津:1/日本:2 1g ¥225.00 14 Jun. 2023
Brand:chemscene Supplier:ChemScence
No. Purity Stock Specification Price update time operate
CS-M1251-25g 99.56% In-stock 25g $198.0/ ¥1,438.11 27 Apr. 2022
CS-M1251-10g 99.56% In-stock 10g $110.0/ ¥798.95 27 Apr. 2022
CS-M1251-5g 99.56% In-stock 5g $69.0/ ¥501.16 27 Apr. 2022
Brand:trc Supplier:TRC
No. Purity Stock Specification Price update time operate
C364790-1g 0.0 1g $ 1367.00/ ¥9,928.79 08 Sep. 2023
C364790-100mg 0.0 100mg $ 173.00/ ¥1,256.53 08 Sep. 2023
Brand:alichem Supplier:Alichem
No. Purity Stock Specification Price update time operate
A199007855-100g 97% Inquiry 100g $606.00/ ¥4,401.50 02 Apr. 2022
A199007855-25g 97% Inquiry 25g $218.00/ ¥1,583.38 02 Apr. 2022
Brand:fluorochem Supplier:Fluorochem
No. Purity Stock Specification Price update time operate
211501-25g 95% 1-2 weeks 25g £250.00/ ¥2,083.55 28 Feb. 2022
211501-10g 95% 1-2 weeks 10g £119.00/ ¥991.77 28 Feb. 2022
211501-5g 95% 1-2 weeks 5g £68.00/ ¥566.73 28 Feb. 2022
211501-1g 95% 1-2 weeks 1g £25.00/ ¥208.36 28 Feb. 2022
Brand:九鼎 Supplier:上海贤鼎生物科技有限公司
No. Purity Stock Specification Price update time operate
A-IP801-200mg 97% 现货 200mg 69.0CNY 04 Aug. 2021
A-IP801-1g 97% 现货 1g 153.0CNY 04 Aug. 2021
A-IP801-5g 97% 现货 5g 465.0CNY 04 Aug. 2021
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