5-氯-3-甲基-4-硝基-1H-吡唑

5-氯-3-甲基-4-硝基-1H-吡唑 基本信息
CAS号 6814-58-0 分子式 C4H4ClN3O2
分子量 161.54600 精确质量  160.99900
PSA  74.50000 LogP  1.80290

基本信息 展开↓

CAS号:
6814-58-0
3D弹球模型:
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分子式:
C4H4ClN3O2
分子量:
161.54600
中文名称:
5-氯-3-甲基-4-硝基-1H-吡唑
英文名称:
3-chloro-5-methyl-4-nitro-1H-pyrazole
中文别名:
5-氯-3-甲基-4-硝基-1H-吡唑
英文别名:
3-chloro-5-methyl-4-nitro-1H-pyrazole;
1H-PYRAZOLE,3-CHLORO-5-METHYL-4-NITRO;
ABG 3030;
Caswell No. 196A;
Release;
5-Chloro-3-methyl-4-nitropyrazole;
3-chloro-5-methyl-4-nitro-1(2)H-pyrazole;
3-Chlor-5-methyl-4-nitro-1(2)H-pyrazol;
5-CHLORO-3-METHYL-4-NITRO-1H-PYRAZOLE
精确分子量/精确质量:
160.99900
极性分子表面积/PSA:
74.50000
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:
InChI=1/C4H4ClN3O2/c1-2-3(8(9)10)4(5)7-6-2/h1H3,(H,6,7)

物化性质展开↓

密度:
1.598 g/cm3
沸点:
366.2ºC at 760 mmHg
闪点:
175.3ºC
折射率:
1.61

安全信息展开↓

包装等级:
III
风险类别:
6.1(b)
海关代码:
2933199090

合成路线查看所有的合成路线

  • 15953-45-4

    5-氯-3-甲基吡唑

  • 6814-58-0

    5-氯-3-甲基-4-硝基-1H-吡唑

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UQ6456200
CHEMICAL NAME :
1H-Pyrazole, 3-chloro-5-methyl-4-nitro-
CAS REGISTRY NUMBER :
6814-58-0
BEILSTEIN REFERENCE NO. :
0005657
LAST UPDATED :
199612
DATA ITEMS CITED :
3
MOLECULAR FORMULA :
C4-H4-Cl-N3-O2
MOLECULAR WEIGHT :
161.56

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
350 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: PB85-143766
TYPE OF TEST :
LC50 - Lethal concentration, 50 percent kill
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
6200 mg/m3/4H
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
FMCHA2 Farm Chemicals Handbook. (Meister Pub., 37841 Euclid Ave., Willoughy, OH 44094) Volume(issue)/page/year: -,C263,1991
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
>2 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
FMCHA2 Farm Chemicals Handbook. (Meister Pub., 37841 Euclid Ave., Willoughy, OH 44094) Volume(issue)/page/year: -,C263,1991

海关数据查看详细

中国海关编码:2933199090

概述:
2933199090. 其他结构上有非稠合吡唑环化合物. 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:20.0%
申报要素:
品名, 成分含量, 用途, 乌洛托品请注明外观, 6-己内酰胺请注明外观, 签约日期
摘要/Summary:
2933199090. other compounds containing an unfused pyrazole ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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    5-氯-3-甲基吡唑

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