4-硝基苯甲醇 | 619-73-8
中文名称:
4-硝基苯甲醇
英文名称:
4-Nitrobenzenemethanol
CAS No.:
619-73-8
分子式:
C7 H7 NO3
分子量:
153.1354
名称和标识符
MDL
MFCD00007376
InChIKey
JKTYGPATCNUWKN-UHFFFAOYSA-N
Inchi
1S/C7H7NO3/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4,9H,5H2
SMILES
O([H])C([H])([H])C1C([H])=C([H])C(=C([H])C=1[H])[N+](=O)[O-]
BRN
1424026
别名信息
- 中文别名 -
4-硝基苯甲醇
对硝基苯甲醇
对硝基苄醇
4-硝基苄醇
4-Nitrobenzyl Alcohol 4-硝基苄醇
对硝基苯甲醇(易制爆)
医药中间体4-硝基苯甲醇
医药中间体对硝基苄醇
对硝基苯甲醇, 用作有机合成中间体
4-硝基苯甲醇,医药级,纯度:>99%
- 英文别名 -
4-Nitrobenzyl alcohol
4-NITROPHENYLCARBINOL
(4-NITROPHENYL)METHANOL
NITROBENZYLALCOHOL(4-)
PARA NITRO BENZYL ALCOHOL
P-NITROBENZYL ALCOHOL
RARECHEM AL BD 0193
TIMTEC-BB SBB008259
1-Hydroxymethyl-4-nitrobenaene
4-(Hydroxymethyl)nitrobenzene
4-Nitrobenaylalcohol
4-nitro-benzenemethano
4-nitrobenzenemethanol
4-nitro-Benzenemethanol
Benzenemethanol, 4-nitro-
Benzyl alcohol, p-nitro-
p-(Hydroxymethyl)nitrobenzene
4-Nitrobenzenemethan
4-Nitrobenzyl alcoh
4-nitro-benzyl alcohol
Nitrobenzyl alcohol
p-nitro-benzylalcoho
p-nitrobenzyl-alcohol
PARANITROBENZYL ALCOHOL
4-nitrobenzylalcohol
86BTJ68Y9M
JKTYGPATCNUWKN-UHFFFAOYSA-N
(4-nitrophenyl)methan-1-ol
p-nitrophenylcarbinol
PubChem7472
4-nitro-benzylalcohol
4-nitro-benzy
CS-W016286
NS00034873
BCP15778
(4-Nitro-phenyl)-methanol
p-Nitrobenzyl alcohol
Tox21_303773
N0180
619-73-8
SCHEMBL114620
Z104486562
A833513
CAS-619-73-8
AM20060312
DTXCID5030870
NCGC00357065-01
CHEBI:41214
(4-Nitrophenyl)methanol
(4-nitrophenyl)-methanol
SY003765
InChI=1/C7H7NO3/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4,9H,5H
PS-5309
51546-73-7
4-NO2-C6H4CH2OH
Epitope ID:164148
s12315
DTXSID1052298
UNII-86BTJ68Y9M
BRN 1424026
1-(Hydroxymethyl)-4-nitrobenzene
4-Nitrobenzenemethanol
SCHEMBL2045837
4NBA
NITROBENZYL ALCOHOL, 4-
p-nitrophenylmethanol
4-06-00-02611 (Beilstein Handbook Reference)
SCHEMBL15630260
NSC-5389
CHEMBL153580
4-(HYDROXYMETHYL)NITROBENZENE
MFCD00007376
EN300-21036
(4-Nitrophenyl)methanol #
NSC5389
EINECS 210-611-6
FT-0619216
NSC 5389
AKOS000120684
4-Nitrobenzyl alcohol, 99%
Q26840765
AC-10994
CCRIS 5118
W-105065
物化性质
实验特性
LogP
1.61030
PSA
66.05000
折射率
1.5030 (estimate)
水溶性
Soluble in water (2 mg/ml at 20°C).
沸点
185°C/12mmHg(lit.)
熔点
93.0 to 97.0 deg-C
闪点
180 ºC
溶解度
2g/l
颜色与性状
黄色粉末。
溶解性
未确定。
密度
1.3585 (rough estimate)
计算特性
精确分子量
153.04300
氢键供体数量
1
氢键受体数量
3
可旋转化学键数量
1
同位素质量
153.043
重原子数量
11
复杂度
135
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)
1.3
互变异构体数量
无
表面电荷
0
拓扑分子极性表面积
66
海关数据
海关编码
29062900
海关数据
中国海关编码:
2906299090
概述:
2906299090 其他芳香醇. 增值税率:17.0% 退税率:9.0% 监管条件:无 最惠国关税:5.5% 普通关税:30.0%
申报要素:
品名, 成分含量, 用途
Summary:
2906299090 other aromatic alcohols。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:5.5%。General tariff:30.0%
生产方法和用途
方法
GC,NMR
将218g乙酸对硝基苄酯溶于500ml热甲醇,搅拌,缓缓加入380g15%****溶液。加毕,放置5min,倒入冰水中析出沉淀。将滤得的沉淀在热水中加活性炭脱色、重结晶,得110-121g对硝基苄醇。
用途
用作有机合成中间体
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参考资料
Reaxys RN
1424026
Beilstein
6,450
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对硝基苯甲醇
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