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苯硫酚钠 | 930-69-8

苯硫酚钠
Sodium Benzenethiolate (technical grade, 90%)
930-69-8
C6H6NaS
133.166611194611
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:苯硫酚钠结构式
24866217
苯硫酚钠价格
简介
苯硫酚钠是苯硫酚的钠盐,分子式为C6H5NaS,苯硫酚是一种带有恶臭的无色液体,呈弱酸性,相对密度1.0728,熔点 -15℃,沸点168.3℃。不溶于水,可溶于乙醇、苯和乙醚。市售的苯硫酚钠固体和液体两种,固体为白色到类白色固体粉末,液体常见苯硫酚钠40%水溶液,苯硫酚钠 20~30%水溶液。

名称和标识符
MDL MFCD00066460
InChIKey BGXZJSLTGNPDDH-UHFFFAOYSA-N
Inchi 1S/C6H6S.Na/c7-6-4-2-1-3-5-6;/h1-5,7H;
SMILES [Na].SC1C=CC=CC=1
别名信息
- 中文别名 -
  • 苯硫酚钠
  • 苯硫酚钠,Sodium thiophenolate
  • 硫代苯酚钠
  • 钠苯硫醇
  • 硫代苯氧化钠
  • 硫代苯酚 钠盐
  • 苯硫酚 钠盐
  • 苯硫酚
- 英文别名 -
  • Sodium thiophenolate
  • Sodium thiophenoxide
  • SODIUM THIOPHENOXIDE, tech-95
  • sodium,benzenethiolate
  • Sodium benzenethiolate
  • Thiophenol sodium salt
  • Benzenethiol, sodium salt
  • Sodium thiophenylate
  • Sodium phenylthiolate
  • 75GF5O2O8Y
  • Benzenethiol, sodium salt (1:1)
  • DSSTox_CID_7342
  • Sodium thiophenolate, 90%
  • DSSTox_RID_78415
  • DSSTox_GSID_27342
  • Sodium phenylsulfide
  • Thiophenyl sodium salt
  • Sodium phenylmercaptide
  • sodiothiobenzene
  • Sodiumthiophenolate
  • sodium benzenthiolate
  • sodium phenyl merca
  • Benzenethiol, sodium deriv. (6CI)
  • Benzenethiol, sodium salt (8CI, 9CI)
  • Sodium, (phenylthio)- (7CI)
  • Sodium thiophenate
  • Thiophenol
物化性质
实验特性
LogP 2.24300
PSA 25.30000
沸点 169.1°Cat760mmHg
熔点 >300 °C (lit.)
闪点 50.6°C
颜色与性状 未确定
溶解性 未确定
密度 1.079
计算特性
精确分子量 132.00100
氢键供体数量 0
氢键受体数量 1
可旋转化学键数量 0
同位素质量 132.001
重原子数量 8
复杂度 50.5
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 2
疏水参数计算参考值(XlogP)
互变异构体数量
表面电荷 0
拓扑分子极性表面积 1
国际标准相关数据
EINECS 5771
海关数据
海关编码 2930909090
海关数据

中国海关编码:

2930909090

概述:

2930909090. 其他有机硫化合物. 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:30.0%

申报要素:

品名, 成分含量, 用途

Summary:

2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

合成路线

合成路线:1 步

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参考文献:
Poly(vinyl chloride) reactions with sodium and potassium derivatives of heteroaromatic and aromatic NH- and SH-acids in aprotic solvents
Shaglaeva, N. S.; Voronkov, M. G.; Bayandin, V. V.; Sultangareev, R. G.; Prozorova, G. F.; et al, Russian Journal of General Chemistry, 2013, 83(8), 1519-1525

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参考文献:
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相关文献
专业数据库参考
PubChemId 24866217
参考资料
Beilstein 3597302
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