4-氯-2-硝基苯酚

4-氯-2-硝基苯酚 基本信息
CAS号 89-64-5 分子式 C6H4ClNO3
分子量 172.5465 精确质量  N/A
PSA  N/A LogP  N/A

基本信息 展开↓

CAS号:
89-64-5
3D弹球模型:
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分子式:
C6H4ClNO3
分子量:
172.5465
中文名称:
4-氯-2-硝基苯酚
英文名称:
4-Chloro-2-nitrophenol
中文别名:
4-氯-2-硝基苯酚;
2-硝基-4-氯苯酚;
邻硝基对氯苯酚;
4-氯-2-硝基酚;
O-Nitro-P-Chloroaniline;
4-Chloro-2-nitrobenzenamine;
2-NITRO-4-CHLOROANILINE;
2-AMINO-5-CHLORONITROBENZENE;
1-AMINO-4-CHLORO-2-NITROBENZENE;
c.i. azoic diazo component no. 9;
FAST RED 3GL BASE;
PARA CHLORO ORTHO NITRO ANILINE;
p-Chloro-o-nitroaniline;
RED 3G BASE;
RED 3GL BASE;
4-chloro-2-nitro-anilin;
4-chloro-2-nitro-benzenamid;
4-chloro-2-nitro-benzenamin;
4-Chloro-2-nitro-phenylamine;
Azoene Fast Red 3GL Base;
Red base 3GL;
α,α,α-trifluoro-4-nitro-m-cresol;
2,5-Dochloro-3,6-Dihydroxy Benzoquinone;
Dichloro Hydroquinone;
2,5-Dichloro-3,6-Dihydroxy-1,4-Benzoquinone;
Chloranilic Acid,(2,5-Dichloro-3,6-Dihydroxy-1,4;
2,5-dichloro-3,6-dihydrox;
Chloranilic acid;
WR 10019;
o-Hydroxybenzanilide;
Salicylanilide;
Fat Red (bluish);
Fat Red HRR;
Fat Red R;
Fat Red RS;
Fat Red RS (VAN);
Fat Red, Bluish (VAN);
Fat Scarlet LB;
Fat Soluble Red ZH;
Fettponceau G;
Fettrot;
Fettscharlach;
Fettscharlach LB;
Grasal Brilliant Red G;
Grasan Brilliant Red G;
Japan Red 225;
Motirot 2R;
NSC 65825;
Oil Red;
Oil Red 3G;
Oil Red 6;
Germa
英文别名:
4-Chloro-2-nitrophenol;
o-nitro-p-chorophenol;
2-nitro-4-chlorophenol;
4-chloro-2-nitrophenolate;
p-Chloro-o-nitrophenol;
4-Chloro-2-nitrobenzenamine;
2-NITRO-4-CHLOROANILINE;
2-AMINO-5-CHLORONITROBENZENE;
1-AMINO-4-CHLORO-2-NITROBENZENE;
c.i. azoic diazo component no. 9;
FAST RED 3GL BASE;
PARA CHLORO ORTHO NITRO ANILINE;
p-Chloro-o-nitroaniline;
RED 3G BASE;
RED 3GL BASE;
4-chloro-2-nitro-anilin;
4-chloro-2-nitro-benzenamid;
4-chloro-2-nitro-benzenamin;
4-Chloro-2-nitro-phenylamine;
Azoene Fast Red 3GL Base;
Red base 3GL;
α,α,α-trifluoro-4-nitro-m-cresol;
2,5-Dochloro-3,6-Dihydroxy Benzoquinone;
Dichloro Hydroquinone;
2,5-Dichloro-3,6-Dihydroxy-1,4-Benzoquinone;
Chloranilic Acid,(2,5-Dichloro-3,6-Dihydroxy-1,4;
2,5-dichloro-3,6-dihydrox;
Chloranilic acid;
WR 10019;
o-Hydroxybenzanilide;
Salicylanilide;
Fat Red (bluish);
Fat Red HRR;
Fat Red R;
Fat Red RS;
Fat Red RS (VAN);
Fat Red, Bluish (VAN);
Fat Scarlet LB;
Fat Soluble Red ZH;
Fettponceau G;
Fettrot;
Fettscharlach;
Fettscharlach LB;
Grasal Brilliant Red G;
Grasan Brilliant Red G;
Japan Red 225;
Mo
贝尔斯坦号/MDL:
MFCD00007113
EINECS:
201-927-5
PubChem:
24855482
BRN:
2048031
InChI:
InChI=1/C6H4ClNO3/c7-4-1-2-6(9)5(3-4)8(10)11/h1-3,9H/p-1

物化性质展开↓

密度:
1.554 g/cm3
熔点:
85-87 °C(lit.)
沸点:
242.5ºC at 760 mmHg
闪点:
100.4°C

化学图谱

  1. 4-氯-2-硝基苯酚质谱(MS)

  2. 4-氯-2-硝基苯酚核磁图(13CNMR)

  3. 4-氯-2-硝基苯酚红外图谱(IR1)

  4. 4-氯-2-硝基苯酚红外图谱(IR2)

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分子结构与计算化学数据展开↓

分子结构数据


1、  摩尔折射率:39.57

2、  摩尔体积(cm3/mol):111.6

3、  等张比容(90.2K):313.6

4、  表面张力(dyne/cm):62.2

5、  极化率(10-24cm3):15.68

计算化学数据


1.疏水参数计算参考值(XlogP):无

2.氢键供体数量:1

3.氢键受体数量:3

4.可旋转化学键数量:0

5.互变异构体数量:4

6.拓扑分子极性表面积66

7.重原子数量:11

8.表面电荷:0

9.复杂度:158

10.同位素原子数量:0

11.确定原子立构中心数量:0

12.不确定原子立构中心数量:0

13.确定化学键立构中心数量:0

14.不确定化学键立构中心数量:0

15.共价键单元数量:1

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