硝呋噻唑

硝呋噻唑 基本信息
CAS号 3570-75-0 分子式 C8H6N4O4S
分子量 254.22300 精确质量 　254.01100
PSA 　141.22000 LogP 　3.00720
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目录
基本信息 物化性质 安全信息 合成路线 毒性 海关数据 结构与计算数据 上下游

基本信息 展开↓

CAS号：
3570-75-0
3D弹球模型：
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分子式：
C8H6N4O4S
分子量：
254.22300
中文名称：
硝呋噻唑
英文名称：
N-[[4-(5-nitrofuran-2-yl)-1,3-thiazol-2-yl]amino]formamide
中文别名：
硝呋噻唑
英文别名：
N-[[4-(5-nitrofuran-2-yl)-1,3-thiazol-2-yl]amino]formamide;
Nifurthiazole [USAN:INN];
NIFURTHIAZOLE;
Nifurthiazol;
formic acid N'-[4-(5-nitro-furan-2-yl)-thiazol-2-yl]-hydrazide;
2-<2-Formylhydrazino>-4-<5-nitro-2-furyl>-thiazol;
Nifurtiazol [INN-Spanish];
2-(2-Formylhydrazino)-4-(5-nitro-2-furyl)thiazole;
Nifurthiazolum [INN-Latin];
Nefurthiazole
精确分子量/精确质量：
254.01100
极性分子表面积/PSA：
141.22000
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: DUWYZHLZDVCZIO-UHFFFAOYSA-N

物化性质展开↓

密度：
1.612g/cm3
熔点：
215.5ºC (DECOMP)
沸点：
454.8ºC at 760mmHg
闪点：
228.9ºC
折射率：
1.679

安全信息展开↓

海关代码：
2934100090

合成路线查看所有的合成路线

  • 64-18-6

    Formic acid

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  • 26049-68-3

    [4-(5-nitrofuran-2-yl)-1,3-thiazol-2-yl]hydrazine

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  • 3570-75-0

    硝呋噻唑

  • 64-18-6

    Formic acid

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  • 18523-69-8

    2-(2-异亚丙基肼基<联氨基>)-4-(5-硝基-2-呋喃基)噻唑

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    硝呋噻唑

  • 18523-69-8

    2-(2-异亚丙基肼基<联氨基>)-4-(5-硝基-2-呋喃基)噻唑

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    硝呋噻唑

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
LQ9275000
CHEMICAL NAME :
Formic acid, 2-(4-(5-nitro-2-furyl)-2-thiazolyl)hydrazide
CAS REGISTRY NUMBER :
3570-75-0
LAST UPDATED :
199801
DATA ITEMS CITED :
26
MOLECULAR FORMULA :
C8-H6-N4-O4-S
MOLECULAR WEIGHT :
254.24
WISWESSER LINE NOTATION :
T5OJ BNW E- ET5N CSJ BMMVH

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 :
1400 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Behavioral - ataxia Behavioral - muscle contraction or spasticity
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
445 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Behavioral - ataxia Behavioral - muscle contraction or spasticity
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
10500 mg/kg/3W-I
TOXIC EFFECTS :
Nutritional and Gross Metabolic - weight loss or decreased weight gain Related to Chronic Data - death
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
10500 mg/kg/3W-I
TOXIC EFFECTS :
Nutritional and Gross Metabolic - weight loss or decreased weight gain Related to Chronic Data - death
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
31 gm/kg/44W-C
TOXIC EFFECTS :
Tumorigenic - Carcinogenic by RTECS criteria Kidney, Ureter, Bladder - Kidney tumors Skin and Appendages - tumors
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
30 gm/kg/33W-C
TOXIC EFFECTS :
Tumorigenic - Carcinogenic by RTECS criteria Gastrointestinal - tumors Blood - leukemia
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - hamster
DOSE/DURATION :
22 gm/kg/48W-C
TOXIC EFFECTS :
Tumorigenic - Carcinogenic by RTECS criteria Gastrointestinal - tumors Kidney, Ureter, Bladder - tumors
TYPE OF TEST :
TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
48 gm/kg/29W
TOXIC EFFECTS :
Tumorigenic - Carcinogenic by RTECS criteria Gastrointestinal - tumors Blood - leukemia
TYPE OF TEST :
TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
28 gm/kg/33W-C
TOXIC EFFECTS :
Tumorigenic - Carcinogenic by RTECS criteria Gastrointestinal - tumors Blood - leukemia
TYPE OF TEST :
TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
41 gm/kg/49W-C
TOXIC EFFECTS :
Tumorigenic - Carcinogenic by RTECS criteria Liver - tumors Kidney, Ureter, Bladder - Kidney tumors
TYPE OF TEST :
TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
28 gm/kg/46W-C
TOXIC EFFECTS :
Tumorigenic - neoplastic by RTECS criteria Kidney, Ureter, Bladder - Kidney tumors Skin and Appendages - tumors
TYPE OF TEST :
TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
38640 mg/kg/46W-C
TOXIC EFFECTS :
Tumorigenic - Carcinogenic by RTECS criteria Kidney, Ureter, Bladder - Kidney tumors

MUTATION DATA

TEST SYSTEM :
Rodent - mouse
DOSE/DURATION :
1575 mg/kg/5D (Intermittent)
REFERENCE :
CMMUAO Chemical Mutagens. Principles and Methods for Their Detection. (Plenum Pub. Corp., 233 Spring St., New York, NY 10013) V.1- 1971- Volume(issue)/page/year: 5,257,1978 *** REVIEWS *** IARC Cancer Review:Animal Sufficient Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 7,151,1974 IARC Cancer Review:Human No Adequate Data IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 7,151,1974 IARC Cancer Review:Group 2B IMSUDL IARC Monographs, Supplement. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) No.1- 1979- Volume(issue)/page/year: 7,56,1987 TOXICOLOGY REVIEW AEHLAU Archives of Environmental Health. (Heldref Pub., 4000 Albemarle St., NW, Washington, DC 20016) V.1- 1960- Volume(issue)/page/year: 23,6,1971 TOXICOLOGY REVIEW CCSUDL Carcinogenesis--A Comprehensive Survey. (Raven Press, 1185 Ave. of the Americas, New York, NY 10036) V.1- 1976- Volume(issue)/page/year: 4,171,1978

海关数据查看详细

中国海关编码：2934100090

概述：
2934100090. 结构上含有一个非稠合噻唑环的化合物(不论是否氢化). 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：
2934100090 other compounds containing an unfused thiazole 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%

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）:1.7

2.氢键供体数量:2

3.氢键受体数量:7

4.可旋转化学键数量:3

5.互变异构体数量:4

6.拓扑分子极性表面积:141

7.重原子数量:17

8.表面电荷:0

9.复杂度:300

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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