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  2. 6280-88-2
4-Chloro-2-nitrobenzoic acid | 6280-88-2

Product Name:4-Chloro-2-nitrobenzoic acid

CAS No:6280-88-2
MF:C7H4ClNO4
MW:201.5640
MDL:MFCD00007214
CID:46561
PubChem ID:80475
Names and Identifiers
  • 4-Chloro-2-nitrobenzoic acid
  • 2-Nitro-4-chlorobenzoic acid
  • 2-nitro-4-chloro-benzoic acid
  • 4-Chlor-2-nitro-benzoesaeure
  • Benzoic acid,4-chloro-2-nitro
  • 4-Chloro-2-nitrobenzoicacid
  • Benzoic acid, 4-chloro-2-nitro-
  • 4-Chloro-2-nitro-benzoic acid
  • JAHIPDTWWVYVRV-UHFFFAOYSA-N
  • KSC353A2D
  • 2-Carboxy-5-chloronitrobenzene
  • Benzoicacid, 4-chloro-2-nitro-
  • NSC6158
  • 2-Nitro-4-chlorobenzoic acid anion
  • CC0099
  • STL164338
  • BBL019354
  • SBB06
  • MDL:MFCD00007214
  • InChIKey:JAHIPDTWWVYVRV-UHFFFAOYSA-N
  • Inchi:1S/C7H4ClNO4/c8-4-1-2-5(7(10)11)6(3-4)9(12)13/h1-3H,(H,10,11)
  • SMILES:ClC1C([H])=C([H])C(C(=O)O[H])=C(C=1[H])[N+](=O)[O-]
  • BRN:2051370
Chemical and Physical Properties

Computed Properties

  • 精确分子量: 200.98300
  • 氢键供体数量: 1
  • 氢键受体数量: 4
  • 可旋转化学键数量: 1
  • 同位素质量: 200.983
  • 重原子数量: 13
  • 复杂度: 227
  • 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): 2.1
  • 互变异构体数量: none
  • 表面电荷: 0
  • 拓扑分子极性表面积: 83.1

Experimental Properties

  • LogP: 2.46960
  • PSA: 83.12000
  • 折射率: 1.6000 (estimate)
  • 水溶性: 0.53 g/100 mL (15 ºC)
  • 沸点: 357°C at 760 mmHg
  • 熔点: 143.0 to 146.0 deg-C
  • 闪点: >100℃
  • 溶解度: 5.3g/l
  • 颜色与性状: 浅黄色粉末
  • 溶解性: 易溶于水
  • 密度: 1.5
Security Information
  • Symbol: GHS07
  • WGK Germany:3
  • 安全术语:S24/25
  • 安全说明:S26-S36-S24/25
  • 风险术语:R36/37/38
  • 危險品標誌: Xi Xi
  • 危险品运输编号:UN 2811 6.1/PG 3
  • 危害声明:H315,H319,H335
  • 警示性声明:P261,P305+P351+P338
  • 提示语:警告
  • 储存条件:Sealed in dry,Room Temperature
  • 危险类别码:36/37/38
  • 信号词:Warning
Customs Data
  • 海关编码:29163900
  • 海关数据:

    中国海关编码:

    29163900
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