二苯并[B,F][1,4]噁唑频
- 中文名称：
- 二苯并[B,F][1,4]噁唑频
- 中文别名：
- 二苯并[b,f][1,4]噁唑频;
二苯并[B,F][1,4]噁唑频
- 英文名称：
- Dibenz[b,f][1,4]oxazepine
- 英文别名：
- benzo[b][1,4]benzoxazepine;
Dibenz(b,4]oxazepine;
EA 3547;
Dibenz[b,f][1,4loxazepine;
dibenz-1,4-oxazepin;
DIBENZ(b,f)(1,4)OXAZEPINE;
dibenzo[b,f ][1,4]oxazepine;
CR (lacrimator)
- CAS No.：
- 257-07-8
- 分 子 式：
-
C13H9NO
- 分 子 量：
- 195.23
- 精确分子量：
- 195.06800
- PSA：
- 21.59000
- InChI：
- The Key: NPUACKRELIJTFM-UHFFFAOYSA-N3
- 安全术语：
- Poison by intraperitoneal and intravenous routes. Moderately toxic by ingestion and inhalation. Experimental teratogenic and reproductive effects. A human skin and eye irritant. Questionable carcinogen with experimental carcinogenic and tumorigenic data. When heated to decomposition it emits toxic fumes of NOx.
- 分子结构式：
-
- SDS：
- 查看
二苯并[B,F][1,4]噁唑频 物化性质
- 密度：
- 1.16g/cm3
- 沸点：
- 329.3ºC at 760mmHg
- 闪点：
- 125ºC
- 折射率：
- 1.625
- 蒸汽压：
- 0.000342mmHg at 25°C
- 存储条件/存储方法：
- 库房低温通风干燥,密闭,与食品原料分开存放
二苯并[B,F][1,4]噁唑频 毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- HQ3950000
- CHEMICAL NAME :
- Dibenz(b,f)(1,4)oxazepine
- CAS REGISTRY NUMBER :
- 257-07-8
- LAST UPDATED :
- 199803
- DATA ITEMS CITED :
- 26
- MOLECULAR FORMULA :
- C13-H9-N-O
- MOLECULAR WEIGHT :
- 195.23
- WISWESSER LINE NOTATION :
- T C676 BO INJ
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- Standard Draize test
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Human
- REFERENCE :
- BJDEAZ British Journal of Dermatology. (Blackwell Scientific Pub. Ltd., POB
88, Oxford, UK) V.63- 1951- Volume(issue)/page/year: 90,657,1974
- TYPE OF TEST :
- Standard Draize test
- ROUTE OF EXPOSURE :
- Administration into the eye
- SPECIES OBSERVED :
- Human - man
- REFERENCE :
- APTOA6 Acta Pharmacologica et Toxicologica. (Copenhagen, Denmark) V.1-59,
1945-86. For publisher information, see PHTOEH Volume(issue)/page/year:
35,412,1974
- TYPE OF TEST :
- Standard Draize test
- ROUTE OF EXPOSURE :
- Administration into the eye
- SPECIES OBSERVED :
- Rodent - rabbit
- REFERENCE :
- ARTODN Archives of Toxicology. (Springer-Verlag, Heidelberger Pl. 3, D-1000
Berlin 33, Fed. Rep. Ger.) V.32- 1974- Volume(issue)/page/year:
34,183,1975
- TYPE OF TEST :
- Standard Draize test
- ROUTE OF EXPOSURE :
- Administration into the eye
- SPECIES OBSERVED :
- Rodent - rabbit
- REFERENCE :
- APTOA6 Acta Pharmacologica et Toxicologica. (Copenhagen, Denmark) V.1-59,
1945-86. For publisher information, see PHTOEH Volume(issue)/page/year:
35,412,1974
- TYPE OF TEST :
- Standard Draize test
- ROUTE OF EXPOSURE :
- Administration into the eye
- SPECIES OBSERVED :
- Rodent - guinea pig
- REFERENCE :
- APTOA6 Acta Pharmacologica et Toxicologica. (Copenhagen, Denmark) V.1-59,
1945-86. For publisher information, see PHTOEH Volume(issue)/page/year:
35,412,1974
** ACUTE TOXICITY DATA **
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 563 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- IAEC** Interagency Collaborative Group on Environmental Carcinogenesis,
National Cancer Institute, Memorandum, June 17, 1974
Volume(issue)/page/year: 17JUN1974
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 164 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- IAEC** Interagency Collaborative Group on Environmental Carcinogenesis,
National Cancer Institute, Memorandum, June 17, 1974
Volume(issue)/page/year: 17JUN1974
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 26 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- IAEC** Interagency Collaborative Group on Environmental Carcinogenesis,
National Cancer Institute, Memorandum, June 17, 1974
Volume(issue)/page/year: 17JUN1974
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 770 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- IAEC** Interagency Collaborative Group on Environmental Carcinogenesis,
National Cancer Institute, Memorandum, June 17, 1974
Volume(issue)/page/year: 17JUN1974
- TYPE OF TEST :
- LCLo - Lowest published lethal concentration
- ROUTE OF EXPOSURE :
- Inhalation
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 1500 mg/m3/2H
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- TXCYAC Toxicology. (Elsevier Scientific Pub. Ireland, Ltd., POB 85,
Limerick, Ireland) V.1- 1973- Volume(issue)/page/year: 8,347,1977
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 242 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- IAEC** Interagency Collaborative Group on Environmental Carcinogenesis,
National Cancer Institute, Memorandum, June 17, 1974
Volume(issue)/page/year: 17JUN1974
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 37200 ug/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- IAEC** Interagency Collaborative Group on Environmental Carcinogenesis,
National Cancer Institute, Memorandum, June 17, 1974
Volume(issue)/page/year: 17JUN1974
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- 1760 mg/kg
- TOXIC EFFECTS :
- Behavioral - general anesthetic
Behavioral - ataxia
Behavioral - coma
- REFERENCE :
- TXCYAC Toxicology. (Elsevier Scientific Pub. Ireland, Ltd., POB 85,
Limerick, Ireland) V.1- 1973- Volume(issue)/page/year: 8,347,1977
- TYPE OF TEST :
- LCLo - Lowest published lethal concentration
- ROUTE OF EXPOSURE :
- Inhalation
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- 1500 mg/m3/2H
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- TXCYAC Toxicology. (Elsevier Scientific Pub. Ireland, Ltd., POB 85,
Limerick, Ireland) V.1- 1973- Volume(issue)/page/year: 8,347,1977
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- >400 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- TXCYAC Toxicology. (Elsevier Scientific Pub. Ireland, Ltd., POB 85,
Limerick, Ireland) V.1- 1973- Volume(issue)/page/year: 8,347,1977
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- 26 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- IAEC** Interagency Collaborative Group on Environmental Carcinogenesis,
National Cancer Institute, Memorandum, June 17, 1974
Volume(issue)/page/year: 17JUN1974
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - guinea pig
- DOSE/DURATION :
- 629 mg/kg
- TOXIC EFFECTS :
- Behavioral - general anesthetic
Behavioral - ataxia
Behavioral - coma
- REFERENCE :
- TXCYAC Toxicology. (Elsevier Scientific Pub. Ireland, Ltd., POB 85,
Limerick, Ireland) V.1- 1973- Volume(issue)/page/year: 8,347,1977
- TYPE OF TEST :
- LCLo - Lowest published lethal concentration
- ROUTE OF EXPOSURE :
- Inhalation
- SPECIES OBSERVED :
- Rodent - guinea pig
- DOSE/DURATION :
- 1500 mg/m3/2H
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- TXCYAC Toxicology. (Elsevier Scientific Pub. Ireland, Ltd., POB 85,
Limerick, Ireland) V.1- 1973- Volume(issue)/page/year: 8,347,1977
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - guinea pig
- DOSE/DURATION :
- 463 mg/kg
- TOXIC EFFECTS :
- Behavioral - muscle weakness
Behavioral - ataxia
Skin and Appendages - hair
- REFERENCE :
- TXCYAC Toxicology. (Elsevier Scientific Pub. Ireland, Ltd., POB 85,
Limerick, Ireland) V.1- 1973- Volume(issue)/page/year: 8,347,1977
- TYPE OF TEST :
- LCLo - Lowest published lethal concentration
- ROUTE OF EXPOSURE :
- Inhalation
- SPECIES OBSERVED :
- Rodent - hamster
- DOSE/DURATION :
- 1850 mg/m3/3H
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- TXCYAC Toxicology. (Elsevier Scientific Pub. Ireland, Ltd., POB 85,
Limerick, Ireland) V.1- 1973- Volume(issue)/page/year: 8,347,1977
** OTHER MULTIPLE DOSE TOXICITY DATA **
- TYPE OF TEST :
- TCLo - Lowest published toxic concentration
- ROUTE OF EXPOSURE :
- Inhalation
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 1008 mg/m3/15M/10D-I
- TOXIC EFFECTS :
- Nutritional and Gross Metabolic - weight loss or decreased weight gain
- REFERENCE :
- JJATDK JAT, Journal of Applied Toxicology. (John Wiley & Sons Ltd., Baffins
Lane, Chichester, W. Sussex PO19 1UD, UK) V.1- 1981-
Volume(issue)/page/year: 14,411,1994
** TUMORIGENIC DATA **
- TYPE OF TEST :
- TCLo - Lowest published toxic concentration
- ROUTE OF EXPOSURE :
- Inhalation
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 236 mg/m3/18W-I
- TOXIC EFFECTS :
- Tumorigenic - Carcinogenic by RTECS criteria
Lungs, Thorax, or Respiration - tumors
Liver - tumors
- REFERENCE :
- TOLED5 Toxicology Letters. (Elsevier Science Pub. B.V., POB 211, 1000 AE
Amsterdam, Netherlands) V.1- 1977- Volume(issue)/page/year: 17,13,1983
- TYPE OF TEST :
- TC - Toxic concentration (other than lowest)
- ROUTE OF EXPOSURE :
- Inhalation
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 204 mg/m3/18W-I
- TOXIC EFFECTS :
- Tumorigenic - equivocal tumorigenic agent by RTECS criteria
Lungs, Thorax, or Respiration - tumors
Liver - tumors
- REFERENCE :
- TOLED5 Toxicology Letters. (Elsevier Science Pub. B.V., POB 211, 1000 AE
Amsterdam, Netherlands) V.1- 1977- Volume(issue)/page/year: 17,13,1983
** REPRODUCTIVE DATA **
- TYPE OF TEST :
- TCLo - Lowest published toxic concentration
- ROUTE OF EXPOSURE :
- Inhalation
- DOSE :
- 2 mg/m3/5M
- SEX/DURATION :
- female 6-15 day(s) after conception
- TOXIC EFFECTS :
- Reproductive - Effects on Embryo or Fetus - fetal death
- REFERENCE :
- TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E.
First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year:
29,301,1974
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Intravenous
- DOSE :
- 47400 ug/kg
- SEX/DURATION :
- female 14-16 day(s) after conception
- TOXIC EFFECTS :
- Reproductive - Fertility - post-implantation mortality (e.g. dead and/or
resorbed implants per total number of implants)
- REFERENCE :
- TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E.
First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year:
29,301,1974
二苯并[B,F][1,4]噁唑频 海关数据
中国海关编码：2934999090
- 概述：
- 2934999090. 其他杂环化合物. 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
- 摘要/Summary：
- 2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
二苯并[B,F][1,4]噁唑频 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）:2.6
2.氢键供体数量:0
3.氢键受体数量:2
4.可旋转化学键数量:0
5.互变异构体数量:无
6.拓扑分子极性表面积:21.6
7.重原子数量:15
8.表面电荷:0
9.复杂度:251
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
