4-苄氧基苯胺

4-苄氧基苯胺 基本信息
CAS号 6373-46-2 分子式 C13H13NO
分子量 199.24800 精确质量  199.10000
PSA  35.25000 LogP  3.42900

基本信息 展开↓

CAS号:
6373-46-2
3D弹球模型:
立即前往扯扯看
分子式:
C13H13NO
分子量:
199.24800
中文名称:
4-苄氧基苯胺
英文名称:
4-(Benzyloxy)aniline
中文别名:
4-苄氧基苯胺;
4-(苄氧基)苯胺;
phosphine, cyclohexyldiphenyl-;
cyclohexyl(diphenyl)phosphane;
cyclohexyldiphenylphosphine;
还原兰黑BBN;
Solvent Red 19;
sudan red 7B (C.I. 26050);
fat red bluish;
N-ethyl-1-(4-(phenylazo)phenylazo)-2-naphthylamine;
Oil violet;
N-ethyl-1-[(E)-{4-[(E)-phenyldiazenyl]phenyl}diazenyl]naphthalen-2-amine;
Sudan Red 7B;
disodium 2-[1-(2,5-dichloro-4-sulfo-phenyl)-3-methyl-5-oxido-pyrazol-4-yl]azobenzenesulfonate;
8-HYDROXY-1,3,6-PYRENETRISULFONIC ACID TRISODIUM SALT;
8-HYDROXYPYRENE-1,3,6-TRISULFONIC ACID, TRISODIUM SALT;
trisodium 8-hydroxypyrene-1,3,6-trisulfonate;
8-hydroxypyrene-1,3,6-trisulfonic acid;
8-hydroxypyrene-1,3,6-trisulfonate;
Solvent Green 7;
Heliogen Violet;
Heliogen Violet R Toner;
Hostaperm Violet RL;
Hostaperm Violet RL Special;
Hostaperm Violet RL Special 14-4007;
Lake Fast Violet RL;
Lake Fast Violet RLB;
Lionogen Violet R 6100;
Lionogen Violet RL;
Lionol Violet HR;
Monolite Fast Violet R;
PV Fast Violet BL;
PV Fast Violet RL-SPE;
Paliogen Violet 5890;
Paliogen Violet L 5890;
Permanent Violet;
Permanent Violet R
英文别名:
4-(Benzyloxy)aniline;
4-phenylmethoxyaniline
精确分子量/精确质量:
199.10000
极性分子表面积/PSA:
35.25000
油水分配系数/LogP:

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值,反映了物质在油水两相中的分配情况。其中、LogP值越大,说明该物质越亲油;反之,LogP值越小,则说明该物质越亲水。
EINECS:
228-917-3
InChI:
InChI=1/C13H13NO/c14-12-6-8-13(9-7-12)15-10-11-4-2-1-3-5-11/h1-9H,10,14H2

物化性质展开↓

密度:
1.129 g/cm3
沸点:
357.7ºC at 760 mmHg
闪点:
180.4ºC

安全信息展开↓

海关代码:
2922299090
危险标志:
Xi

合成路线查看所有的合成路线

  • 1145-76-2

    4-苄氧基-1-硝基苯

  • ~99%

  • 6373-46-2

    4-苄氧基苯胺

  • 35957-44-9

    2-[(4-benzyloxyphenylamino)-methylene]-malonic acid diethyl ester

  • ~94%

  • 6373-46-2

    4-苄氧基苯胺

  • 94040-95-6

    94040-95-6

  • ~92%

  • 6373-46-2

    4-苄氧基苯胺

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
BW7615000
CHEMICAL NAME :
Aniline, p-benzyloxy-
CAS REGISTRY NUMBER :
6373-46-2
BEILSTEIN REFERENCE NO. :
2101629
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C13-H13-N-O
MOLECULAR WEIGHT :
199.27
WISWESSER LINE NOTATION :
ZR DO1R

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
56 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#01381

海关数据查看详细

中国海关编码:2922299090

概述:
2922299090. 其他氨基(萘酚、酚)及醚、酯〔包括它们的盐, 但含有一种以上含氧基的除外〕. 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, 乙醇胺及其盐应报明色度, 乙醇胺及其盐应报明包装
摘要/Summary:
2922299090. other amino-naphthols and other amino-phenols, other than those containing more than one kind of oxygen function, their ethers and esters; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

分子结构与计算化学数据展开↓

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:2

4.可旋转化学键数量:3

5.互变异构体数量:无

6.拓扑分子极性表面积:35.2

7.重原子数量:15

8.表面电荷:0

9.复杂度:169

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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