四硝基甲烷

  • 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

四硝基甲烷 基本信息

中文名称:
四硝基甲烷 
中文别名:
四硝基甲烷;
四硝甲烷 
英文名称:
TETRANITROMETHANE
英文别名:
TETRANITROMETHANE;
Tetan;
RCRA waste number P112;
Methane,tetranitro;
RCRA waste no. P112;
Tetranitro-methan;
tetranitro-methane;
Tetranitrokohlenstoff 
CAS No.:
509-14-8
分 子 式:
CN4O8
分 子 量:
196.03
精确分子量:
195.97200
PSA:
183.28000
MDL:
MFCD00007391
EINECS:
208-094-7
InChI:
The Key: NYTOUQBROMCLBJ-UHFFFAOYSA-N
风险术语:
8-25-26-36/37/38-40
分子结构式:
SDS:
查看

四硝基甲烷 制备方法及用途

制备方法

1.注意!产品有毒,反应要在通风橱中进行。 250毫升的锥形瓶配上具二孔的塞子,塞子的一边有一条切口作为通气孔,塞子的一孔中插入温度计,温度计的水银球应伸到近瓶底。瓶内放入31.5克(0.5摩尔)无水硝酸(d>1.53锥形瓶放在冰水中冷却到10℃以下,从插在塞子另一孔上的滴定管缓缓加入51克(0.5摩尔)乙醉,每次大约加0.5毫升。反应混合物的温度决不可超过10℃。在巳加入大约5毫升乙醉后,反应就不十分剧烈了,这时在不断摇动下每次可加入较多量的乙醉,每次加入量由1毫升逐渐增加到5毫升。在全部乙醉加入后,将塞子和温度计移去。用毛巾擦净瓶颈,用倒置的烧杯盖上,锥形瓶在原失的冰浴中自然升到窒温。混合物在室温下放置7天。把混合物倒入盛有300毫升水的500毫升园底烧瓶中,进行水蒸汽蒸馏,分出四硝基甲烷。四硝基甲烷随着最初的20毫升馏出液蒸去。把重的产品与上层水分开,先用稀碱洗,最后用水洗,然后用无水硫酸钠千燥。四硝基甲烷的产量是14-16克(57一65%)。

合成制备方法

1.注意!产品有毒,反应要在通风橱中进行。
    250毫升的锥形瓶配上具二孔的塞子,塞子的一边有一条切口作为通气孔,塞子的一孔中插入温度计,温度计的水银球应伸到近瓶底。瓶内放入31.5克(0.5摩尔)无水硝酸(d>1.53锥形瓶放在冰水中冷却到10℃以下,从插在塞子另一孔上的滴定管缓缓加入51克(0.5摩尔)乙醉,每次大约加0.5毫升。反应混合物的温度决不可超过10℃。在巳加入大约5毫升乙醉后,反应就不十分剧烈了,这时在不断摇动下每次可加入较多量的乙醉,每次加入量由1毫升逐渐增加到5毫升。在全部乙醉加入后,将塞子和温度计移去。用毛巾擦净瓶颈,用倒置的烧杯盖上,锥形瓶在原失的冰浴中自然升到窒温。混合物在室温下放置7天。把混合物倒入盛有300毫升水的500毫升园底烧瓶中,进行水蒸汽蒸馏,分出四硝基甲烷。四硝基甲烷随着最初的20毫升馏出液蒸去。把重的产品与上层水分开,先用稀碱洗,最后用水洗,然后用无水硫酸钠千燥。四硝基甲烷的产量是14-16克(57一65%)。

用途简介

用作火箭燃料,分析上用于不饱和化合物的测定。

用途

用作火箭燃料,分析上用于不饱和化合物的测定。[22]

四硝基甲烷 物化性质

外观与性状:
淡黄色液体
密度:
1.637 g/mL at 25 °C(lit.)
熔点:
13-14 °C(lit.)
沸点:
126 °C(lit.)
闪点:
>230 °F
折射率:
n20/D 1.438(lit.)
存储条件/存储方法:
轻装轻放,库房通风、远离明火、高温、阳光,与氧化剂、易燃物分开存放
稳定性相关:

1.稳定性[16]  稳定

2.禁配物[17]  强还原剂、强碱、活性金属粉末、铜。胺类、酸、可燃物、有机物、易氧化物质。

3.避免接触的条件[18]  受热、摩擦、震动、撞击

4.聚合危害[19]  不聚合

5.分解产物[20]  氮氧化物

其它信息:

1.性状:无色液体,有刺激性气味。[1]

2.熔点(℃):13~14[2]

3.沸点(℃):126[3]

4.相对密度(水=1):1.62(20℃)[4]

5.相对蒸气密度(空气=1):6.8[5]

6.饱和蒸气压(kPa):1.117(20℃)[6]

7.临界温度(℃):267.1[7]

8.临界压力(MPa):3.99[8]

9.辛醇/水分配系数:-2.05[9]

10.闪点(℃):<110[10]

11.溶解性:不溶于水,可混溶于乙醇、乙醚。[11]

四硝基甲烷 安全信息

包装等级:
I
风险类别:
5.1
海关代码:
2904209090
WGK_Germany:
3
德国有关水污染物质的分类清单
危险类别码:
8-25-26-36/37/38-40
安全说明:
S17-S28-S36/37-S45
RTECS号:
PB4025000
安全标志:
S17:远离可燃物质。
S28:接触皮肤之后,立即使用大量皂液洗涤。
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)。
:
危险标志:
O,T+

四硝基甲烷 毒理性

CHEMICAL IDENTIFICATION

RTECS NUMBER :
PB4025000
CHEMICAL NAME :
Methane, tetranitro-
CAS REGISTRY NUMBER :
509-14-8
LAST UPDATED :
199712
DATA ITEMS CITED :
55
MOLECULAR FORMULA :
C-N4-O8
MOLECULAR WEIGHT :
196.05
WISWESSER LINE NOTATION :
WNXNWNWNW

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
130 mg/kg
TOXIC EFFECTS :
Sense Organs and Special Senses (Olfaction) - effect, not otherwise specified Sense Organs and Special Senses (Eye) - effect, not otherwise specified Behavioral - somnolence (general depressed activity)
TYPE OF TEST :
LC50 - Lethal concentration, 50 percent kill
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
18 ppm/4H
TOXIC EFFECTS :
Blood - methemoglobinemia-carboxyhemoglobin
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
12600 ug/kg
TOXIC EFFECTS :
Blood - methemoglobinemia-carboxyhemoglobin
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
375 mg/kg
TOXIC EFFECTS :
Sense Organs and Special Senses (Olfaction) - effect, not otherwise specified Sense Organs and Special Senses (Eye) - effect, not otherwise specified Behavioral - somnolence (general depressed activity)
TYPE OF TEST :
LC50 - Lethal concentration, 50 percent kill
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
54 ppm/4H
TOXIC EFFECTS :
Blood - methemoglobinemia-carboxyhemoglobin
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
53 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 :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
63100 ug/kg
TOXIC EFFECTS :
Blood - methemoglobinemia-carboxyhemoglobin
TYPE OF TEST :
LC50 - Lethal concentration, 50 percent kill
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Mammal - cat
DOSE/DURATION :
100 ppm/20M
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 :
Mammal - species unspecified
DOSE/DURATION :
500 mg/kg
TOXIC EFFECTS :
Blood - methemoglobinemia-carboxyhemoglobin
TYPE OF TEST :
TCLo - Lowest published toxic concentration
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
6350 ppb/6H/26W-I
TOXIC EFFECTS :
Sense Organs and Special Senses (Olfaction) - effect, not otherwise specified Lungs, Thorax, or Respiration - fibrosis, focal (pneumoconiosis) Related to Chronic Data - death
TYPE OF TEST :
TCLo - Lowest published toxic concentration
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
25 ppm/6H/14D-I
TOXIC EFFECTS :
Related to Chronic Data - death
TYPE OF TEST :
TCLo - Lowest published toxic concentration
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
10 ppm/6H/13W-I
TOXIC EFFECTS :
Lungs, Thorax, or Respiration - other changes Liver - changes in liver weight Nutritional and Gross Metabolic - weight loss or decreased weight gain
TYPE OF TEST :
TCLo - Lowest published toxic concentration
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
25 ppm/6H/14D-I
TOXIC EFFECTS :
Related to Chronic Data - death
TYPE OF TEST :
TCLo - Lowest published toxic concentration
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
10 ppm/6H/13W-I
TOXIC EFFECTS :
Sense Organs and Special Senses (Olfaction) - effect, not otherwise specified Lungs, Thorax, or Respiration - other changes Liver - changes in liver weight
TYPE OF TEST :
TCLo - Lowest published toxic concentration
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
2 ppm/6H/2Y-I
TOXIC EFFECTS :
Tumorigenic - Carcinogenic by RTECS criteria Lungs, Thorax, or Respiration - tumors Lungs, Thorax, or Respiration - bronchiogenic carcinoma
TYPE OF TEST :
TCLo - Lowest published toxic concentration
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
500 ppb/6H/2Y-I
TOXIC EFFECTS :
Tumorigenic - Carcinogenic by RTECS criteria Lungs, Thorax, or Respiration - tumors Lungs, Thorax, or Respiration - bronchiogenic carcinoma
TYPE OF TEST :
TC - Toxic concentration (other than lowest)
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
2 ppm/6H/2Y-I
TOXIC EFFECTS :
Tumorigenic - Carcinogenic by RTECS criteria Lungs, Thorax, or Respiration - bronchiogenic carcinoma
TYPE OF TEST :
TC - Toxic concentration (other than lowest)
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
500 ppb/6H/2Y-I
TOXIC EFFECTS :
Tumorigenic - Carcinogenic by RTECS criteria Lungs, Thorax, or Respiration - bronchiogenic carcinoma

MUTATION DATA

TYPE OF TEST :
Sister chromatid exchange
TEST SYSTEM :
Rodent - hamster Ovary
REFERENCE :
NTPTR* National Toxicology Program Technical Report Series. (Research Triangle Park, NC 27709) No.206- Volume(issue)/page/year: NTP-TR-386,1990 *** 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 0.04 mg/m3 (0.005 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: 65,437,1996 IARC Cancer Review:Human Inadequate 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: 65,437,1996 IARC Cancer Review:Group 2B 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: 65,437,1996 *** U.S. STANDARDS AND REGULATIONS *** MSHA STANDARD-air:TWA 1 ppm (8 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: 3,254,1971 OSHA PEL (Gen Indu):8H TWA 1 ppm (8 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 1 ppm (8 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 1 ppm (8 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 1 ppm (8 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-AUSTRALIA:TWA 1 ppm (8 mg/m3) JAN 1993 OEL-BELGIUM:TWA 1 ppm (8 mg/m3) JAN 1993 OEL-DENMARK:TWA 1 ppm (8 mg/m3) JAN 1993 OEL-FINLAND:TWA 1 ppm (8 mg/m3);STEL 3 ppm (24 mg/m3) JAN 1993 OEL-FRANCE:TWA 1 ppm (8 mg/m3) JAN 1993 OEL-GERMANY:TWA 1 ppm (8 mg/m3) JAN 1993 OEL-THE NETHERLANDS:TWA 1 ppm (8 mg/m3) JAN 1993 OEL-THE PHILIPPINES:TWA 1 ppm (8 mg/m3) JAN 1993 OEL-RUSSIA:STEL 0.3 mg/m3 JAN 1993 OEL-SWITZERLAND:TWA 1 ppm (8 mg/m3) JAN 1993 OEL-TURKEY:TWA 1 ppm (8 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 TETRANITROMETHANE-air:10H TWA 1 ppm 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 : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X7237 No. of Facilities: 7 (estimated) No. of Industries: 1 No. of Occupations: 1 No. of Employees: 1445 (estimated) No. of Female Employees: 230 (estimated)
毒理学数据:

1.急性毒性[12]

LD50:130mg/kg(大鼠经口)

LC50:18ppm(大鼠吸入,4h)

2.刺激性   暂无资料

3.亚急性与慢性毒性[13]  在50.93mg/m3下暴露6个月存活的大鼠,见中等程度的肺炎和支气管炎,而中毒死亡的大鼠,肺炎严重。

4.致突变性[14]  微生物致突变:鼠单晗沙门菌2μg/皿;大肠杆菌3μg/皿。姐妹染色单体交换:仓鼠卵巢1700μg/L。DNA损伤:大鼠肝70μmol/L。细胞遗传学分析:仓鼠卵巢20mg/L。

5.致癌性[15]  IARC致癌性评论:G2B,可疑人类致癌物。

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

四硝基甲烷 MSDS

第一部分:化学品名称

四硝基甲烷 海关数据

中国海关编码:2904209090

概述:
2904209090 其他仅含硝基或亚硝基的衍生物。监管条件:无。增值税率:17.0%。退税率:9.0%。最惠国关税:5.5%。普通关税:30.0%
申报要素:
品名, 成分含量, 用途
摘要/Summary:
2904209090 derivatives containing only nitro or only nitroso groups。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:5.5%。General tariff:30.0%

四硝基甲烷 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):0.1

2.氢键供体数量:0

3.氢键受体数量:8

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183

7.重原子数量:13

8.表面电荷:0

9.复杂度:209

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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