亚硝酸异丁酯

  • 基本信息
  • 制备方法及用途
  • 物化性质
  • 安全信息
  • 毒理性
  • MSDS
  • 海关数据
  • 结构与计算化学
  • 上游产品
  • 下游产品

亚硝酸异丁酯 基本信息

中文名称:
亚硝酸异丁酯 
中文别名:
亚硝酸异丁酯;
亞硝酸異丁酯 
英文名称:
Nitrous acid,2-methylpropyl ester
英文别名:
isobutyl nitrite;
2-methylpropyl nitrite;
Isobutylnitrite 
CAS No.:
542-56-3
分 子 式:

C4H9NO2

分 子 量:
103.12
精确分子量:
103.06300
PSA:
38.66000
MDL:
MFCD00002056
EINECS:
208-819-7
BRN:
1699518
InChI:
InChI=1/C4H9NO2/c1-4(2)3-7-5-6/h4H,3H2,1-2H3
危险品标志:

风险术语:

R11;R20/22;R45;R68   

安全术语:

S45;S53

分子结构式:
SDS:
查看

亚硝酸异丁酯 制备方法及用途

制备方法

用作溶剂,用于有机合成。

合成制备方法

 

用途简介

用途

用作溶剂,用于有机合成。[18]

亚硝酸异丁酯 物化性质

外观与性状:
无色至淡黄色液体
密度:
0.87 g/mL at 25 °C(lit.)
沸点:
66-67 °C(lit.)
闪点:
−6 °F
水溶解性:
<0.1 g/100 mL (19℃)
折射率:
n20/D 1.373(lit.)
存储条件/存储方法:
库房通风低温干燥,与氧化剂、酸类分开存放
稳定性相关:

1.稳定性[12]  稳定

2.禁配物[13]  强氧化剂

3.避免接触的条件[14]  受热

4.聚合危害[15]  不聚合

5.分解产物[16]  氮氧化物

其它信息:

1.性状:无色至黄色液体[1]

2.沸点(℃):66~67[2]

3.相对密度(水=1):0.87(22℃)[3]

4.相对整齐密度(空气=1):3.56[4]

5.辛醇/水分配系数:2.28[5]

6.闪点(℃):-21.11[6]

7.爆炸上限(%):26.9[7]

8.爆炸下限(%):1.2[8]

9.溶解性:微溶于水,可混溶于乙醇。[9]

亚硝酸异丁酯 安全信息

包装等级:
II
风险类别:
3
海关代码:
2920909090
WGK_Germany:
3
德国有关水污染物质的分类清单
危险类别码:
R11;R20/22;R45;R68
安全说明:
S53-S45
RTECS号:
RA0805000
安全标志:
S45:出现意外或者感到不适,立刻到医生那里寻求帮助(最好带去产品容器标签)。
S53:避免暴露——使用前先阅读专门的说明。
危险标志:
F:Flammable

亚硝酸异丁酯 毒理性

CHEMICAL IDENTIFICATION

RTECS NUMBER :
RA0805000
CHEMICAL NAME :
Nitrous acid, isobutyl ester
CAS REGISTRY NUMBER :
542-56-3
BEILSTEIN REFERENCE NO. :
1699518
LAST UPDATED :
199709
DATA ITEMS CITED :
21
MOLECULAR FORMULA :
C4-H9-N-O2
MOLECULAR WEIGHT :
103.14
WISWESSER LINE NOTATION :
ONO1Y1&1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Human - man
DOSE/DURATION :
120 mg/kg
TOXIC EFFECTS :
Blood - methemoglobinemia-carboxyhemoglobin Vascular - BP lowering not characterized in autonomic section Cardiac - change in rate
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
410 mg/kg
TOXIC EFFECTS :
Behavioral - general anesthetic
TYPE OF TEST :
LC50 - Lethal concentration, 50 percent kill
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
777 ppm/4H
TOXIC EFFECTS :
Behavioral - altered sleep time (including change in righting reflex) Behavioral - excitement Lungs, Thorax, or Respiration - cyanosis
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
205 mg/kg
TOXIC EFFECTS :
Liver - other changes Blood - methemoglobinemia-carboxyhemoglobin
TYPE OF TEST :
LC50 - Lethal concentration, 50 percent kill
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1033 ppm/1H
TOXIC EFFECTS :
Behavioral - changes in motor activity (specific assay) Lungs, Thorax, or Respiration - cyanosis Kidney, Ureter, Bladder - urine volume increased
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
184 mg/kg
TOXIC EFFECTS :
Liver - other changes
TYPE OF TEST :
TCLo - Lowest published toxic concentration
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
600 ppm/6H/2W-I
TOXIC EFFECTS :
Lungs, Thorax, or Respiration - other changes Liver - other changes Related to Chronic Data - death
TYPE OF TEST :
TCLo - Lowest published toxic concentration
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
150 ppm/6H/13W-I
TOXIC EFFECTS :
Sense Organs and Special Senses (Olfaction) - effect, not otherwise specified Blood - methemoglobinemia-carboxyhemoglobin Blood - changes in erythrocyte (RBC) count
TYPE OF TEST :
TCLo - Lowest published toxic concentration
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
400 ppm/7H/60D-I
TOXIC EFFECTS :
Liver - changes in liver weight Kidney, Ureter, Bladder - changes in bladder weight Endocrine - changes in spleen weight
TYPE OF TEST :
TCLo - Lowest published toxic concentration
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
800 ppm/6H/2W-I
TOXIC EFFECTS :
Lungs, Thorax, or Respiration - changes in lung weight Nutritional and Gross Metabolic - weight loss or decreased weight gain Related to Chronic Data - death
TYPE OF TEST :
TCLo - Lowest published toxic concentration
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
300 ppm/6H/14W-I
TOXIC EFFECTS :
Lungs, Thorax, or Respiration - structural or functional change in trachea or bronchi Blood - changes in erythrocyte (RBC) count Blood - changes in leukocyte (WBC) count
TYPE OF TEST :
TCLo - Lowest published toxic concentration
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
300 ppm/6.5H/18W-I
TOXIC EFFECTS :
Liver - changes in liver weight Blood - methemoglobinemia-carboxyhemoglobin Blood - changes in leukocyte (WBC) count
TYPE OF TEST :
TCLo - Lowest published toxic concentration
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
150 ppm/6H/2Y-I
TOXIC EFFECTS :
Tumorigenic - Carcinogenic by RTECS criteria Lungs, Thorax, or Respiration - tumors
TYPE OF TEST :
TCLo - Lowest published toxic concentration
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
150 ppm/6H/2Y-I
TOXIC EFFECTS :
Tumorigenic - neoplastic by RTECS criteria Lungs, Thorax, or Respiration - tumors

MUTATION DATA

TYPE OF TEST :
Mutation in mammalian somatic cells
TEST SYSTEM :
Rodent - mouse Lymphocyte
DOSE/DURATION :
75900 nmol/L
REFERENCE :
EMMUEG Environmental and Molecular Mutagenesis. (Alan R. Liss, Inc., 41 E. 11th St., New York, NY 10003) V.10- 1987- Volume(issue)/page/year: 14,115,1989 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X4720 No. of Facilities: 13 (estimated) No. of Industries: 1 No. of Occupations: 4 No. of Employees: 290 (estimated) No. of Female Employees: 13 (estimated)
毒理学数据:

1.急性毒性[10] 

LD50:410mg/kg(大鼠经口);205mg/kg(小鼠经口)

LC50:777ppm(大鼠吸入,4h)

2.刺激性  暂无资料

生态数据:

1.生态毒性  暂无资料

2.生物降解性  暂无资料

3.非生物降解性  暂无资料

4.其他有害作用[11]  该物质对环境可能有危害,对水体应给予特别注意。

亚硝酸异丁酯 MSDS

第一部分:化学品名称

亚硝酸异丁酯 海关数据

中国海关编码:2920909090

概述:
2920909090 其他无机酸酯(不包括卤化氢的酯)(包括其盐及它们的卤化,磺化,硝化和亚硝化衍生物)。监管条件:无。增值税率:17.0%。退税率:9.0%。最惠国关税:6.5%。普通关税:30.0%
申报要素:
品名, 成分含量, 用途
摘要/Summary:
2920909090 esters of other inorganic acids of non-metals (excluding esters of hydrogen halides) and their salts; their halogenated, sulphonated, nitrated or nitrosated derivatives。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:6.5%。General tariff:30.0%

亚硝酸异丁酯 分子结构与计算化学数据

分子结构数据

1、摩尔折射率:25.89

2、摩尔体积(cm3/mol):103.1

3、等张比容(90.2K):238.3

4、表面张力(dyne/cm):28.4

5、极化率(10-24cm3):10.26

计算化学数据

1.疏水参数计算参考值(XlogP):1.4

2.氢键供体数量:0

3.氢键受体数量:3

4.可旋转化学键数量:2

5.互变异构体数量:无

6.拓扑分子极性表面积38.7

7.重原子数量:7

8.表面电荷:0

9.复杂度:53.7

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

亚硝酸异丁酯 上游产品

推荐供应商更多供应商>>