2,5-环己二烯-1,4-二酮单肟

2,5-环己二烯-1,4-二酮单肟 基本信息
CAS号 637-62-7 分子式 C6H5NO2
分子量 123.11 精确质量  123.03203
PSA  49.7 A2 LogP  0.349±0.371

基本信息 展开↓

CAS号:
637-62-7
3D弹球模型:
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分子式:
C6H5NO2
分子量:
123.11
中文名称:
2,5-环己二烯-1,4-二酮单肟
英文名称:
2,5-Cyclohexadiene-1,4-dione, 1-oxime
中文别名:
2,5-环己二烯-1,4-二酮单肟
英文别名:
2,5-Cyclohexadiene-1,4-dione, 1-oxime;
2,5-Cyclohexadiene-1,4-dione,1-oxime;
Quinone MonooxiMe;
p-quinone monooxime;
N-Hydroxy-p-benzoquinone imine;
p-benzoquinone,monooxime;
4-hydroxyimino-5-cyclohexadien-1-one;
2,5-Cyclohexadiene-1,4-dione 1-OxiMe;
1,4-Benzoquinone 4-OxiMe;
Benzoquinone monoxime;
4-Benzoquinone Monoxime
精确分子量/精确质量:
123.03203
极性分子表面积/PSA:
49.7 A2
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。
InChI:
The Key: KMGMCLWJFCGWFI-UHFFFAOYSA-N

物化性质展开↓

密度:
1.23±0.1 g/cm3
熔点:
125-126 °C
沸点:
266.6±33.0 °C
闪点:
115.1±25.4 °C
水溶解性:
Soluble (20 g/L)
蒸汽密度:
1.17E-3 Torr

安全信息展开↓

海关代码:
2928000090

合成路线查看所有的合成路线

  • 123-31-9

    1,4-苯二酚

  • ~91%

  • 637-62-7

    2,5-环己二烯-1,4-二酮单肟

  • 108-95-2

    苯酚

  • ~88%

  • 637-62-7

    2,5-环己二烯-1,4-二酮单肟

  • 83933-63-5

    N-(1,1,3,3-tetramethylbutyl)-p-benzoquinone imine N-oxide

  • ~43%

  • 637-62-7

    2,5-环己二烯-1,4-二酮单肟

  • +

  • 25295-92-5

    2,5-bis(1,1,3,3-tetramethylbutylamino)-p-benzoquinone

  • +

  • 83933-71-5

    2-(2,2,4,4-tetramethylpyrrolidin-1-yl)-p-benzoquinone

  • +

  • 106-51-4

    苯醌

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
GU5625000
CHEMICAL NAME :
2,5-Cyclohexadien-1-one, 4-hydroxyimino-
CAS REGISTRY NUMBER :
637-62-7
BEILSTEIN REFERENCE NO. :
2040595
LAST UPDATED :
199612
DATA ITEMS CITED :
4
MOLECULAR FORMULA :
C6-H5-N-O2
MOLECULAR WEIGHT :
123.12
WISWESSER LINE NOTATION :
L6V DYJ DUNQ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
260 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value

MUTATION DATA

TYPE OF TEST :
Mutation in microorganisms
TEST SYSTEM :
Bacteria - Escherichia coli
DOSE/DURATION :
1 umol/plate
REFERENCE :
MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 164,263,1986 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - M3272 No. of Facilities: 11 (estimated) No. of Industries: 1 No. of Occupations: 1 No. of Employees: 136 (estimated)

海关数据查看详细

中国海关编码:2928000090

概述:
2928000090 其他肼(联氨)及胲(羟胺)的有机衍生物。监管条件:无。增值税率:17.0%。退税率:9.0%。最惠国关税:6.5%。普通关税:20.0%
申报要素:
品名, 成分含量, 用途
摘要/Summary:
2928000090 other organic derivatives of hydrazine or of hydroxylamine VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:20.0%

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