3-[(3-nitrophenyl)methylidene]pentane-2,4-dione

3-[(3-nitrophenyl)methylidene]pentane-2,4-dione 基本信息
CAS号 29197-19-1 分子式 C12H11NO4
分子量 233.22000 精确质量  233.06900
PSA  79.96000 LogP  2.67940

基本信息 展开↓

CAS号:
29197-19-1
3D弹球模型:
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分子式:
C12H11NO4
分子量:
233.22000
英文名称:
3-[(3-nitrophenyl)methylidene]pentane-2,4-dione
英文别名:
3-[(3-nitrophenyl)methylidene]pentane-2,4-dione;
3-(m-Nitrobenzylidene)acetylacetone;
3-(3-Nitrobenzylidene)acetylacetone;
3-Nitro-13.12-dioxo-1-(12-aetho-buten-(11)-yl)-benzol;
2,4-Pentanedione,3-(m-nitrobenzylidene);
3-(m-Nitrobenzal) 2,4-pentanedione;
3-(3-Nitro-benzyliden)-pentan-2,4-dion;
m-nitrobenzylidene-acetylacetone;
3-(3-nitrobenzylidene)pentane-2,4-dione
精确分子量/精确质量:
233.06900
极性分子表面积/PSA:
79.96000
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: UXGCGDAMTXPIIJ-UHFFFAOYSA-N

物化性质展开↓

密度:
1.255g/cm3
沸点:
442.6ºC at 760mmHg
闪点:
223.1ºC
折射率:
1.587
蒸汽压:
4.94E-08mmHg at 25°C

安全信息展开↓

海关代码:
2914700090

合成路线查看所有的合成路线

  • 99-61-6

    间硝基苯甲醛

  • +

  • 123-54-6

    乙酰丙酮

  • ~93%

  • 29197-19-1

    3-[(3-nitrophenyl)methylidene]pentane-2,4-dione

  • 3748-99-0

    4-methyl-N-[(Z)-(3-nitrophenyl)methylideneamino]benzenesulfonamide

  • +

  • 123-54-6

    乙酰丙酮

  • ~87%

  • 29197-19-1

    3-[(3-nitrophenyl)methylidene]pentane-2,4-dione

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
SA2275000
CHEMICAL NAME :
2,4-Pentanedione, 3-(m-nitrobenzylidene)-
CAS REGISTRY NUMBER :
29197-19-1
BEILSTEIN REFERENCE NO. :
2054358
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C12-H11-N-O4
MOLECULAR WEIGHT :
233.24
WISWESSER LINE NOTATION :
WNR C1UYV1&V1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
5 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
SCCUR* Shell Chemical Company. Unpublished Report. (2401 Crow Canyon Rd., San Romon, CA 94583) Volume(issue)/page/year: -,8,1961

海关数据查看详细

中国海关编码:2914700090

概述:
2914700090 其他酮及醌的卤化、磺化衍生物(包括硝化和亚硝化衍生物). 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, 丙酮报明包装
摘要/Summary:
HS: 2914700090 halogenated, sulphonated, nitrated or nitrosated derivatives of ketones and quinones, whether or not with other oxygen function Tax rebate rate:9.0% Supervision conditions:none VAT:17.0% MFN tariff:5.5% General tariff:30.0%

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  • 99-61-6

    间硝基苯甲醛

  • 123-54-6

    乙酰丙酮

  • 3748-99-0

    4-methyl-N-[(Z)-(3-nitrophenyl)methylideneamino]benzenesulfonamide

下游产品

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  • 117491-08-4

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