2-硝基丙烷

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

2-硝基丙烷 基本信息

中文名称:
2-硝基丙烷 
中文别名:
2-硝基丙烷;
仲硝基丙烷 
英文名称:
Propane, 2-nitro-
英文别名:
2-nitropropane;
Nipar S-20;
Propane,2-nitro;
sec-Nitropropane;
2-Nitropropane;
Dimethylnitromethane;
2-NP;
Isonitropropane;
Nitroisopropane;
2-nitro-propane 
CAS No.:
79-46-9
分 子 式:

C3H7NO2

分 子 量:
89.09
精确分子量:
89.04770
PSA:
45.82000
MDL:
MFCD00007397
EINECS:
201-209-1
BRN:
1740684
InChI:
InChI=1/C3H7NO2/c1-3(2)4(5)6/h3H,1-2H3
危险品标志:

T:Toxic
 

风险术语:

R10; R20/22; R45;

安全术语:
S45; S53;
分子结构式:
SDS:
查看

2-硝基丙烷 制备方法及用途

制备方法

1.由丙烷经硝化而得。先将丙烷放在预热器内于430-450℃进行预热,然后引入内衬玻璃或二氧化硅的反应塔内。反应塔有几处可向内部丙烷气喷注75%硝酸,反应温度调节到390-440℃,压力0.69-0.86MPa,丙烷与硝酸的摩尔比为5:1,由反应塔出来的气体,经冷凝器冷却,硝基丙烷与稀硝酸即凝缩。而丙烷与气态氧化物则由回收塔回收,丙烷循环使用。所得产品为硝基甲烷10%-30%,硝基乙烷20%-25%,1-硝基丙烷25%,2-硝基丙烷40%。该品也可经丙烯硝化得到。 2.由丙烯等不饱和烃经气相或液相硝化,或饱和烃液相硝化亦可制得硝基丙烷。

合成制备方法

1.由丙烷经硝化而得。先将丙烷放在预热器内于430-450℃进行预热,然后引入内衬玻璃或二氧化硅的反应塔内。反应塔有几处可向内部丙烷气喷注75%硝酸,反应温度调节到390-440℃,压力0.69-0.86MPa,丙烷与硝酸的摩尔比为5:1,由反应塔出来的气体,经冷凝器冷却,硝基丙烷与稀硝酸即凝缩。而丙烷与气态氧化物则由回收塔回收,丙烷循环使用。所得产品为硝基甲烷10%-30%,硝基乙烷20%-25%,1-硝基丙烷25%,2-硝基丙烷40%。该品也可经丙烯硝化得到。

2.由丙烯等不饱和烃经气相或液相硝化,或饱和烃液相硝化亦可制得硝基丙烷。

用途简介

1.用作乙烯及环氧树脂涂料的特殊溶剂、火箭燃料、汽油的添加剂等,也用于有机合成。本品具有很强的溶解能力,是各种纤维素衍生物、乙烯树脂等的优良溶剂,也用作蜡、脂肪、染料等的溶剂,研磨颜料的润滑剂,以及棉织品的清洗与媒染剂。 2.用作乙烯及环氧树脂涂料的特殊溶剂。

用途

1.用作乙烯及环氧树脂涂料的特殊溶剂、火箭燃料、汽油的添加剂等,也用于有机合成。本品具有很强的溶解能力,是各种纤维素衍生物、乙烯树脂等的优良溶剂,也用作蜡、脂肪、染料等的溶剂,研磨颜料的润滑剂,以及棉织品的清洗与媒染剂。

2.用作乙烯及环氧树脂涂料的特殊溶剂。[31]

2-硝基丙烷 物化性质

外观与性状:
液体
密度:
0.992 g/mL at 25 °C(lit.)
熔点:
-93 °C
沸点:
120 °C(lit.)
闪点:
99 °F
水溶解性:
1.7 g/100 mL (20 ºC)
折射率:
n20/D 1.394(lit.)
蒸汽密度:
~3 (vs air)
存储条件/存储方法:
库房通风低温干燥,与氧化剂、碱类分开存放
稳定性相关:

1.化学性质水溶液呈酸性,0.01mol/L水溶液pH 5.33;饱和水溶液pH 4.29;水饱和的2-硝基丙烷pH 3.00。化学性质和硝基甲烷类似,可与醛反应生成一羟基硝基化合物。与氯反应生成2-氯-2-硝基丙烷。与苛性碱反应生成酸硝式盐。

2.稳定性[25]  稳定

3.禁配物[26]  强还原剂、无机碱、碱金属、卤代烷烃、金属氢化物、金属烷氧化物、氨、胺等

4.避免接触的条件[27]  强烈震动、受热

5.聚合危害[28]  不聚合

6.分解产物[29]  氮氧化物

其它信息:

1.性状:无色透明油状液体,有水果香味。[1]

2.熔点(℃):-93[2]

3.沸点(℃):120.3[3]

4.相对密度(水=1):0.99[4]

5.相对蒸气密度(空气=1):3.1[5]

6.饱和蒸气压(kPa):1.7(20℃)[6]

7.燃烧热(kJ/mol):-1996.4[7]

8.临界温度(℃):344.7[8]

9.临界压力(MPa):4.45[9]

10.辛醇/水分配系数:0.93[10]

11.闪点(℃):24[11]

12.引燃温度(℃):428[12]

13.爆炸上限(%):11.0[13]

14.爆炸下限(%):2.6[14]

15.溶解性:微溶于水,混溶于芳烃、酮类、酯类、醚类等有机溶剂。[15]

2-硝基丙烷 安全信息

包装等级:
III
风险类别:
3.2
海关代码:
29042000
WGK_Germany:
3
德国有关水污染物质的分类清单
危险类别码:
R10;R20/22;R45
安全说明:
S53-S45
RTECS号:
TZ5250000
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:
T:Toxic;

2-硝基丙烷 毒理性

CHEMICAL IDENTIFICATION

RTECS NUMBER :
TZ5250000
CHEMICAL NAME :
Propane, 2-nitro-
CAS REGISTRY NUMBER :
79-46-9
LAST UPDATED :
199712
DATA ITEMS CITED :
65
MOLECULAR FORMULA :
C3-H7-N-O2
MOLECULAR WEIGHT :
89.11
WISWESSER LINE NOTATION :
WNY1&1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
TCLo - Lowest published toxic concentration
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Human - man
DOSE/DURATION :
20 ppm
TOXIC EFFECTS :
Behavioral - anorexia (human) Gastrointestinal - hypermotility, diarrhea Gastrointestinal - nausea or vomiting
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
720 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LC50 - Lethal concentration, 50 percent kill
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
400 ppm/6H
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
1100 mg/kg
TOXIC EFFECTS :
Blood - methemoglobinemia-carboxyhemoglobin
TYPE OF TEST :
LC50 - Lethal concentration, 50 percent kill
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
10 gm/m3/2H
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 :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
75 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LCLo - Lowest published lethal concentration
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Mammal - cat
DOSE/DURATION :
714 ppm/5H
TOXIC EFFECTS :
Sense Organs and Special Senses (Eye) - lacrimation Lungs, Thorax, or Respiration - dyspnea Gastrointestinal - changes in structure or function of salivary glands
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
500 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Behavioral - ataxia Lungs, Thorax, or Respiration - respiratory stimulation
TYPE OF TEST :
LCLo - Lowest published lethal concentration
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
2381 ppm/5H
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - dyspnea Lungs, Thorax, or Respiration - cyanosis
TYPE OF TEST :
LCLo - Lowest published lethal concentration
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - guinea pig
DOSE/DURATION :
4622 ppm/5H
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - dyspnea Lungs, Thorax, or Respiration - cyanosis
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
4277 mg/kg/16W-I
TOXIC EFFECTS :
Tumorigenic - Carcinogenic by RTECS criteria Liver - tumors
TYPE OF TEST :
TCLo - Lowest published toxic concentration
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
207 ppm/7H/26W-I
TOXIC EFFECTS :
Tumorigenic - Carcinogenic by RTECS criteria Liver - tumors
TYPE OF TEST :
TC - Toxic concentration (other than lowest)
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
207 ppm/26W-I
TOXIC EFFECTS :
Tumorigenic - equivocal tumorigenic agent by RTECS criteria Liver - tumors
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
DOSE :
2550 mg/kg
SEX/DURATION :
female 1-15 day(s) after conception
TOXIC EFFECTS :
Reproductive - Specific Developmental Abnormalities - cardiovascular (circulatory) system
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
DOSE :
2550 mg/kg
SEX/DURATION :
female 1-15 day(s) after conception
TOXIC EFFECTS :
Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants) Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus)
TYPE OF TEST :
Micronucleus test
TYPE OF TEST :
DNA repair
TYPE OF TEST :
DNA damage
TYPE OF TEST :
DNA damage
TYPE OF TEST :
Unscheduled DNA synthesis

MUTATION DATA

TEST SYSTEM :
Rodent - rat
REFERENCE :
CRNGDP Carcinogenesis (London). (Oxford Univ. Press, Pinkhill House, Southfield Road, Eynsham, Oxford OX8 1JJ, UK) V.1- 1980- Volume(issue)/page/year: 10,2329,1989 *** REVIEWS *** ACGIH TLV-Animal carcinogen DTLVS* The Threshold Limit Values (TLVs) and Biological Exposure Indices (BEIs) booklet issues by American Conference of Governmental Industrial Hygienists (ACGIH), Cincinnati, OH, 1996 Volume(issue)/page/year: TLV/BEI,1997 ACGIH TLV-TWA 36 mg/m3 (10 ppm) DTLVS* The Threshold Limit Values (TLVs) and Biological Exposure Indices (BEIs) booklet issues by American Conference of Governmental Industrial Hygienists (ACGIH), Cincinnati, OH, 1996 Volume(issue)/page/year: TLV/BEI,1997 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: 29,331,1982 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: 29,331,1982 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 *** U.S. STANDARDS AND REGULATIONS *** MSHA STANDARD-air:TWA 25 ppm (90 mg/m3) DTLVS* The Threshold Limit Values (TLVs) and Biological Exposure Indices (BEIs) booklet issues by American Conference of Governmental Industrial Hygienists (ACGIH), Cincinnati, OH, 1996 Volume(issue)/page/year: 3,188,1971 OSHA PEL (Gen Indu):8H TWA 25 ppm (90 mg/m3) CFRGBR Code of Federal Regulations. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) Volume(issue)/page/year: 29,1910.1000,1994 OSHA PEL (Construc):8H TWA 25 ppm (90 mg/m3) CFRGBR Code of Federal Regulations. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) Volume(issue)/page/year: 29,1926.55,1994 OSHA PEL (Shipyard):8H TWA 25 ppm (90 mg/m3) CFRGBR Code of Federal Regulations. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) Volume(issue)/page/year: 29,1915.1000,1993 OSHA PEL (Fed Cont):8H TWA 25 ppm (90 mg/m3) CFRGBR Code of Federal Regulations. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) Volume(issue)/page/year: 41,50-204.50,1994 *** OCCUPATIONAL EXPOSURE LIMITS *** OEL-DENMARK:TWA 10 ppm (36 mg/m3) JAN 1993 OEL-FINLAND:TWA 5 ppm (18 mg/m3);STEL 40 ppm (150 mg/m3) JAN 1993 OEL-FRANCE;Carcinogen JAN 1993 OEL-GERMANY;Carcinogen JAN 1993 OEL-THE NETHERLANDS:TWA 1 ppm (3.6 mg/m3);STEL 2 ppm (7.2 mg/m3) JAN 1993 OEL-THE PHILIPPINES:TWA 25 ppm (90 mg/m3) JAN 1993 OEL-SWEDEN:TWA 10 ppm (35 mg/m3) JAN 1993 OEL-SWITZERLAND:TWA 5 ppm (18 mg/m3);Carcinogen JAN 1993 OEL-TURKEY:TWA 25 ppm (90 mg/m3) JAN 1993 OEL-UNITED KINGDOM:TWA 10 ppm (26 mg/m3);STEL 30 ppm (72 mg/m3) JAN 1993 OEL IN BULGARIA, COLOMBIA, JORDAN, KOREA check ACGIH TLV OEL IN NEW ZEALAND, SINGAPORE, VIETNAM check ACGIH TLV *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH RECOMMENDED EXPOSURE LEVEL (REL) : NIOSH REL TO 2-NITROPROPANE-air:CA lowest feasible conc. REFERENCE : NIOSH* National Institute for Occupational Safety and Health, U.S. Dept. of Health, Education, and Welfare, Reports and Memoranda. Volume(issue)/page/year: DHHS #92-100,1992 NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 51090 No. of Facilities: 2335 (estimated) No. of Industries: 57 No. of Occupations: 42 No. of Employees: 29842 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 51090 No. of Facilities: 345 (estimated) No. of Industries: 15 No. of Occupations: 19 No. of Employees: 9818 (estimated) No. of Female Employees: 1817 (estimated)
毒理学数据:

1.急性毒性[16]

LD50:720mg/kg(大鼠经口)

LC50:400ppm(大鼠吸入,6h)

2.刺激性  暂无资料

3.亚急性与慢性毒性[17]  大鼠、豚鼠、兔、猫和猴暴露于1194mg/m3,每天7h,猫数天后死亡,而猴存活100d,其他动物存活130d。死亡的猫肝内有局灶性坏死和肝实质退行性变,心、肾亦有轻度到中度的变性,还有肺水肿、肺泡内出血和间质性肺炎,而其他动物种属则无上述改变。猫的高铁血红蛋白含量升高。

4.致突变性[18]  微生物致突变:鼠伤寒沙门菌25μmol/皿。DNA损伤:鼠伤寒沙门菌50mg/L。细胞遗传学分析:人淋巴细胞60mmol/L。姐妹染色单体交换:人淋巴细胞7500μmol/L。

5.致畸性[19] 大鼠孕后1~15d腹腔内给予最低中毒剂量(TDLo)2550mg/kg,致心血管系统发育畸形。

6.致癌性[20]  IARC致癌性评论:G2B,可疑人类致癌物。

7.其他[21]  大鼠腹腔最低中毒剂量(TDLo):2250mg/kg(孕后1~15d用药),对胎鼠心血管系统有影响。TCLo:20ppm(人吸入)

生态数据:

1.生态毒性[22]

LC50:4.71mg/L(96h)(黑头呆鱼,动态);620mg/L(48h)(斑马鱼,静态)

EC50:1088mg/L(72h)(栅藻);290mg/L(24h)(水蚤)

2.生物降解性[23]

好氧生物降解(h):672~4320

厌氧生物降解(h):2688~17280

3.非生物降解性[24]

光解最大光吸收(nm):278

空气中光氧化半衰期(h):4.87~48.7

2-硝基丙烷 MSDS

第一部分:化学品名称

2-硝基丙烷 分子结构与计算化学数据

分子结构数据

1、摩尔折射率:21.92

2、摩尔体积(cm3/mol):91.2

3、等张比容(90.2K):207.4

4、表面张力(dyne/cm):26.7

5、极化率(10-24cm3):8.69

计算化学数据

1.疏水参数计算参考值(XlogP):无

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:2

6.拓扑分子极性表面积45.8

7.重原子数量:6

8.表面电荷:0

9.复杂度:54.3

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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产品介绍:
产品名称:2-硝基丙烷 Cas号:79-46-9 纯度:0-99% 包装信息:1kg,25kg,200kg,400kg,500kg 价格:洽谈
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