硝呋隆
- 中文名称：
- 硝呋隆
- 中文别名：
- 硝呋隆
- 英文名称：
- Ethanol,2-[[(5-nitro-2-furanyl)methylene]oxidoamino]-
- 英文别名：
- N-(2-hydroxyethyl)-1-(5-nitrofuran-2-yl)methanimine oxide;
Ethanol,N-oxide;
Nifuratrone;
2-Hydroxy-N-(5-nitrofurfuryliden)ethanamin-N-oxid;
Nifuratrona [INN-Spanish];
Nifuratronum [INN-Latin];
Nifuratrone [USAN:INN]
- CAS No.：
- 19561-70-7
- 分 子 式：
-
C7H8N2O5
- 分 子 量：
- 200.17
- 精确分子量：
- 200.04300
- PSA：
- 107.94000
- 安全术语：
- A poison by subcutaneous route. Moderately toxic by ingestion. Questionable carcinogen with experimental tumorigenic data. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx.
- 分子结构式：
-
- SDS：
- 查看
硝呋隆 物化性质
- 密度：
- 1.45g/cm3
- 沸点：
- 412ºC at 760mmHg
- 闪点：
- 203ºC
- 折射率：
- 1.618
- 蒸汽压：
- 1.59E-07mmHg at 25°C
硝呋隆 毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- QX8530000
- CHEMICAL NAME :
- Nitrone, N-(2-hydroxyethyl)-alpha-(5-nitro-2-furyl)-
- CAS REGISTRY NUMBER :
- 19561-70-7
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 9
- MOLECULAR FORMULA :
- C7-H8-N2-O5
- MOLECULAR WEIGHT :
- 200.17
- WISWESSER LINE NOTATION :
- T5OJ BNW E1UNO&2Q
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 518 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 417 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Unreported
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 220 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 522 gm/kg/46W-C
- TOXIC EFFECTS :
- Tumorigenic - equivocal tumorigenic agent by RTECS criteria
Skin and Appendages - tumors
MUTATION DATA
- TYPE OF TEST :
- DNA repair
- TEST SYSTEM :
- Bacteria - Escherichia coli
- DOSE/DURATION :
- 500 nmol/well
- REFERENCE :
- CNREA8 Cancer Research. (Public Ledger Building, Suit 816, 6th & Chestnut
Sts., Philadelphia, PA 19106) V.1- 1941- Volume(issue)/page/year:
34,2266,1974
硝呋隆 海关数据
中国海关编码：2932190090
- 概述：
- 2932190090 其他结构上有非稠合呋喃环化合物. 增值税率:17.0% 退税率:9.0% 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
- 摘要/Summary：
- 2932190090 other compounds containing an unfused furan ring (whether or not hydrogenated) in the structure VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:20.0%
硝呋隆 分子结构与计算化学数据
计算化学数据
1.疏水参数计算参考值（XlogP）:-0.2
2.氢键供体数量:1
3.氢键受体数量:5
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:108
7.重原子数量:14
8.表面电荷:0
9.复杂度:237
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:1
14.不确定化学键立构中心数量:0
15.共价键单元数量:1
