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2,4-Dinitrotoluene

2,4-Dinitrotoluene


  • 中文别名:2,4-二硝基甲苯
  • 中文释义:2,4-二硝基甲苯;1-甲基-2,4-二硝基苯;2,4-二-硝基甲苯
  • 英文别名:2,4-dinitrotoluene;
    2,4,6-dinitrotoluene;
    Pyridine,2,4-dinitro;
    2,4-Dinitropyridin;
    2,4-Dinitrotoluene;
    1-methyl-2,4-dinitrobenzene;
    2,4-dinitro-toluene;
    2,4-dinitromethylbenzene 
  • CAS No.:121-14-2
  • 分子式:

    C7H6N2O4

  • 分子量:182.13
  • 精确分子量:182.03300
  • PSA:91.64000
  • MDL:MFCD00007172
  • InChI:InChI=1/C7H6N2O4/c1-5-3-2-4-6(8(10)11)7(5)9(12)13/h2-4H,1H3
  • 分子结构式:

物化性质

密度:
1.407g/cm3
熔点:
65.5-70.5ºC
沸点:
300ºC
闪点:
155ºC
水溶解性:
0.3 g/L (20℃)
折射率:
1.442 (20ºC)
蒸汽压:
0.000299mmHg at 25°C
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.本品有毒。猫吸入21×10-6蒸气7h不会中毒,但经皮肤吸入可引起中毒。对人则引起头痛、眩晕,有时引起轻微的发绀,但同时饮用大量酒后数小时会突然呈现意识不明、神志昏迷而病倒。工作场所空气中二硝基甲苯的最高容许浓度1.5×10-6。工作场所设备要密闭,防止跑、冒、滴、漏。操作人员要穿戴防护用具,避免直接接触。上班前后严禁饮酒。

2.稳定性[21] 稳定

3.禁配物[22] 强氧化剂、强还原剂、强碱

4.避免接触的条件[23] 受热、摩擦、震动或撞击

5.聚合危害[24] 不聚合

6.分解产物[25] 氮氧化物

其它信息:

1.性状:浅黄色针状结晶,有苦杏仁味。[1]

2.熔点(℃):69.5~71[2]

3.沸点(℃):300(分解)[3]

4.相对密度(水=1):1.32[4]

5.相对蒸气密度(空气=1):6.27[5]

6.饱和蒸气压(kPa):13.33(157.7℃)[6]

7.燃烧热(kJ/mol):-3564.7[7]

8.辛醇/水分配系数:1.98[8]

9.闪点(℃):206.7(CC)[9]

10.引燃温度(℃):360[10]

11.溶解性:微溶于水、乙醇、乙醚,易溶于苯、丙酮。[11]

安全信息

密度:
1.407g/cm3
熔点:
65.5-70.5ºC
沸点:
300ºC
闪点:
155ºC
水溶解性:
0.3 g/L (20℃)
折射率:
1.442 (20ºC)
蒸汽压:
0.000299mmHg at 25°C
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.本品有毒。猫吸入21×10-6蒸气7h不会中毒,但经皮肤吸入可引起中毒。对人则引起头痛、眩晕,有时引起轻微的发绀,但同时饮用大量酒后数小时会突然呈现意识不明、神志昏迷而病倒。工作场所空气中二硝基甲苯的最高容许浓度1.5×10-6。工作场所设备要密闭,防止跑、冒、滴、漏。操作人员要穿戴防护用具,避免直接接触。上班前后严禁饮酒。

2.稳定性[21] 稳定

3.禁配物[22] 强氧化剂、强还原剂、强碱

4.避免接触的条件[23] 受热、摩擦、震动或撞击

5.聚合危害[24] 不聚合

6.分解产物[25] 氮氧化物

其它信息:

1.性状:浅黄色针状结晶,有苦杏仁味。[1]

2.熔点(℃):69.5~71[2]

3.沸点(℃):300(分解)[3]

4.相对密度(水=1):1.32[4]

5.相对蒸气密度(空气=1):6.27[5]

6.饱和蒸气压(kPa):13.33(157.7℃)[6]

7.燃烧热(kJ/mol):-3564.7[7]

8.辛醇/水分配系数:1.98[8]

9.闪点(℃):206.7(CC)[9]

10.引燃温度(℃):360[10]

11.溶解性:微溶于水、乙醇、乙醚,易溶于苯、丙酮。[11]

毒理性

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XT1575000
CHEMICAL NAME :
Toluene, 2,4-dinitro-
CAS REGISTRY NUMBER :
121-14-2
LAST UPDATED :
199710
DATA ITEMS CITED :
56
MOLECULAR FORMULA :
C7-H6-N2-O4
MOLECULAR WEIGHT :
182.15
WISWESSER LINE NOTATION :
WNR B1 ENW

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
268 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 :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
790 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Mammal - cat
DOSE/DURATION :
25 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
13195 mg/kg/13W-C
TOXIC EFFECTS :
Behavioral - food intake (animal) Related to Chronic Data - death
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
24752 mg/kg/2Y-C
TOXIC EFFECTS :
Blood - normocytic anemia Blood - changes in other cell count (unspecified)
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
12410 mg/kg/1Y-C
TOXIC EFFECTS :
Blood - normocytic anemia Nutritional and Gross Metabolic - weight loss or decreased weight gain Related to Chronic Data - changes in testicular weight
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
76 gm/kg/26W-C
TOXIC EFFECTS :
Liver - changes in liver weight Blood - changes in serum composition (e.g. TP, bilirubin, cholesterol) Related to Chronic Data - changes in testicular weight
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
37583 mg/kg/13W-C
TOXIC EFFECTS :
Blood - normocytic anemia 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 :
654 mg/kg/2Y-C
TOXIC EFFECTS :
Blood - normocytic anemia Blood - methemoglobinemia-carboxyhemoglobin Blood - changes in other cell count (unspecified)
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
328 gm/kg/1Y-C
TOXIC EFFECTS :
Endocrine - changes in spleen weight Nutritional and Gross Metabolic - weight loss or decreased weight gain Related to Chronic Data - changes in testicular weight
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Mammal - dog
DOSE/DURATION :
2250 mg/kg/90D-I
TOXIC EFFECTS :
Blood - normocytic anemia Blood - methemoglobinemia-carboxyhemoglobin Related to Chronic Data - death
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Mammal - dog
DOSE/DURATION :
7280 mg/kg/2Y-I
TOXIC EFFECTS :
Brain and Coverings - other degenerative changes Blood - other changes Related to Chronic Data - death
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
2620 mg/kg/78W-C
TOXIC EFFECTS :
Tumorigenic - neoplastic by RTECS criteria Skin and Appendages - tumors
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
10080 mg/kg/2Y-C
TOXIC EFFECTS :
Tumorigenic - Carcinogenic by RTECS criteria Kidney, Ureter, Bladder - Kidney tumors
TYPE OF TEST :
TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
5460 mg/kg/78W-C
TOXIC EFFECTS :
Tumorigenic - neoplastic by RTECS criteria Skin and Appendages - tumors
TYPE OF TEST :
TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
28 gm/kg/2Y-C
TOXIC EFFECTS :
Tumorigenic - Carcinogenic by RTECS criteria Liver - tumors Nutritional and Gross Metabolic - weight loss or decreased weight gain
TYPE OF TEST :
TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
12775 mg/kg/Y-C
TOXIC EFFECTS :
Tumorigenic - equivocal tumorigenic agent by RTECS criteria Liver - tumors
TYPE OF TEST :
TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
8760 mg/kg/2Y-C
TOXIC EFFECTS :
Tumorigenic - neoplastic by RTECS criteria Kidney, Ureter, Bladder - tumors Kidney, Ureter, Bladder - Kidney tumors
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
3094 mg/kg
SEX/DURATION :
male 13 week(s) pre-mating
TOXIC EFFECTS :
Reproductive - Fertility - pre-implantation mortality (e.g. reduction in number of implants per female; total number of implants per corpora lutea) Reproductive - Fertility - other measures of fertility
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
8463 mg/kg
SEX/DURATION :
male 13 week(s) pre-mating
TOXIC EFFECTS :
Reproductive - Paternal Effects - spermatogenesis (incl. genetic material, sperm morphology, motility, and count)
TYPE OF TEST :
Sex chromosome loss and nondisjunction
TYPE OF TEST :
Morphological transformation
TYPE OF TEST :
DNA adduct
TYPE OF TEST :
Mutation test systems - not otherwise specified
TYPE OF TEST :
Unscheduled DNA synthesis
TYPE OF TEST :
DNA inhibition
TYPE OF TEST :
Cytogenetic analysis
TYPE OF TEST :
Dominant lethal test

MUTATION DATA

TYPE OF TEST :
Sister chromatid exchange
TEST SYSTEM :
Rodent - hamster Ovary
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: 13,60,1989 *** 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: 65,309,1996 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: 65,309,1996 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: 65,309,1996 TOXICOLOGY REVIEW NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: AD778-725 *** U.S. STANDARDS AND REGULATIONS *** OSHA PEL (Gen Indu):8H TWA 1.5 mg/m3 (skin) 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 1.5 mg/m3 (skin) 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 1.5 mg/m3 (skin) 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 1.5 mg/m3 (skin) 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 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA ***NIOSH RECOMMENDED EXPOSURE LEVEL (REL) : NIOSH REL TO 2,4-DINITROTOLUENE-air:10H CA TWA 1.5 mg/m3 (Sk)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
毒理学数据:

1.急性毒性[12] LD50:268mg/kg(大鼠经口);>1g/kg(豚鼠经皮)

2.刺激性[13] 家兔经皮:500mg(24h),轻度刺激。

3.致突变性[14] 微生物致突变:鼠伤寒沙门菌10μg/皿。性染色体缺失和不分离:黑腹果蝇胃肠外200ppm。DNA损伤:大鼠肝3mmol/L。程序外DNA合成:大鼠经口35mg/kg。

4.致癌性[15] IARC致癌性评论:G2B,可疑人类致癌物。

5.其他[16] 大鼠经口最低中毒剂量(TDLo):1050mg/kg(孕7~20d),引起血液和淋巴系统(包括脾脏和骨髓)发育异常和迟发效应(新生鼠)。

生态数据:

1.生态毒性[17]

LC50:23~25.6mg/L(96h)(黑头呆鱼)

IC50:0.13~2.7mg/L(72h)(藻类)

2.生物降解性[18]

好氧生物降解(h):672~4320

厌氧生物降解(h):48~240

3.非生物降解性[19]

水相光解半衰期(h):23~72

水中光氧化半衰期(h):3~33

空气中光氧化半衰期(h):284~2840

4.生物富集性[20] BCF:204(孔雀鱼)

MSDS

国标编号: 61674
CAS: 121-14-2
中文名称: 2,4-二硝基甲苯
英文名称: 2,4-dinitrotoluene
别 名:
分子式: C7H6N2O4;CH3C6H3(NO2)2
分子量: 182.14
熔 点: 69.5℃
密 度: 相对密度(水=1)1.52;
蒸汽压: 207℃
溶解性: 微溶于水、乙醇、乙醚,易溶于苯、丙酮
稳定性: 稳定
外观与性状: 浅黄色针状结晶,有苦杏仁味
危险标记: 14(有毒品)
用 途: 用于制造染料中间体、炸药

2、对环境的影响:

一、健康危害

侵入途径:吸入、食入、经皮吸收。  健康危害:本品有引起高铁血红蛋白血症的作用。急性中毒:出现紫绀、头痛、头晕、兴奋、虚弱、恶心、呕吐、气短、倦睡,甚至神志丧失。如不及时治疗或引起死亡。本品易经皮肤吸收引起中毒。饮洒能增加机体对该品的敏感性。慢性中毒:长期作用下可有头痛、头晕、疲倦、腹痛、心悸、苍白、唇发绀、白细胞增多、贫血和黄疸等。

二、毒理学资料及环境行为

急性毒性:LD50268mg/kg(大鼠经口)  致突变性:非按时DNA合成:大鼠经口100mg/kg。  生殖毒性:大鼠经口最低中毒剂量(TDL0):1050mg/kg(孕7~20天),引起血液和淋巴系统(包括脾脏和骨髓)发育异常和迟发效应(新生鼠)。

污染来源:2,4-二硝基甲苯广泛用于有机合成,用于染料、油漆、涂料的制备,也是生产炸药的主要原料,使用2,4-二硝基甲苯的工厂排放的废水废气是主要污染源,贮运过程中的翻车、泄漏、容器破裂等事故,是又一污染源。

具有一定的化学活性,受热可分解,水体中的二硝基甲本可发生水解。被二硝基甲苯污染的水体略带苦的金属味,呈淡黄色。对水生生物有毒害作用,浓度达10mg/L时,可造成鱼类及水生物的死亡;极易燃、易爆,事故现场有苦杏仁味。有剧毒。具有致癌性。该物质对环境有危害,在地下水中有蓄积作用。

危险特性:遇明火、高热易燃。与氧化剂混合给形成爆炸性混合物。经摩擦、震动或撞击可引起燃烧或爆炸。燃烧时产生大量烟雾。  燃烧(分解)产物:一氧化碳、二氧化碳、氧化氮。

3、现场应急监测方法:

便携式气相色谱法《突发性环境污染事故应急监测与处理处置技术》万本太主编

4、实验室监测方法:
监测方法来源类别
气相色谱法GB13194-91水质
示波极谱法GB/T13901-92水质
色谱法WS/T163-1999作业场所空气
气相色谱法《空气和废气监测分析方法》国家环保局编空气和废气
气相色谱法;
色谱/质谱法
《固体废弃物试验分析评价手册》中国环境监测总站等译固体废弃物
5、环境标准:

中国(TJ36-79)车间空气中有害物质的最高容许浓度 1mg/m3[皮]中国(GHZB1-1999)地面水环境质量标准(I、II、III类水域)0.0003mg/L

6、应急处理处置方法:

一、泄漏应急处理

隔离泄漏污染区,限制出入。切断火源。建议应急处理人员戴自给式呼吸器,穿防毒服。小收集全部被污染土壤,转移到安全地带。隔断被污染水体,防止污染扩散。立即将中毒人员转移至空气新鲜地带,清洗皮肤上的沾染物即送医院。发生火灾时,使用干粉、泡沫等灭火器灭火,并用水喷淋冷却容器壁。灭火时,应在一定的安全距离之外,以免爆炸伤人。沿地面加强通风,以驱赶残留蒸气。  废弃物处置方法:建议用焚烧法处置。废料同碳酸氢钠、固体易燃物充分接触后焚烧,焚烧炉排出的气体要通过碱洗涤器除去有害成分。

二、防护措施

呼吸系统防护:空气中粉尘浓度超标时,佩戴自吸过滤式防尘口罩。紧急事态抢救或撤离时,佩戴空气呼吸器。  眼睛防护:戴安全防护眼镜。  身体防护:穿防毒物渗透工作服。  手防护:戴橡胶手套。  其它:工作现场禁止吸烟、进食和饮水。及时换洗工作服。工作前后不饮酒,有温水洗澡。实行就业前和定期的体检。

三、急救措施

皮肤接触:立即脱去被污染的衣着,用肥皂水和清水彻底冲洗皮肤。就医。  眼睛接触:提起眼睑,用流动清水或生理盐水冲洗。就医。  吸入:迅速脱离现场至空气新鲜处。保持呼吸道通畅。如呼吸困难,给输氧。如呼吸停止,立即进行人工呼吸。就医。  食入:饮足量温水,催吐,就医。

灭火方法:小火用雾状水、二氧化碳、泡沫灭火。在火场的受热情况下,可能发生爆炸,因此不可轻易接近。遇大火只好任其燃烧,或由远方装设的灭火设施用自动水龙头喷水,周围不可有人。

海关数据

中国海关编码:2904203000

概述:
2904203000 二硝基甲苯。监管条件:AB(入境货物通关单,出境货物通关单)。增值税率:17.0%。退税率:9.0%。最低关税:5.5%。普通关税:20.0%
申报要素:
品名, 成分含量, 用途
监管条件:
A.入境货物通关单B.出境货物通关单
检验检疫:
M.进口商品检验N.出口商品检验
摘要/Summary:
2904203000 4-methyl-1,2-dinitrobenzene。supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward)。VAT:17.0%。tax rebate rate:9.0%。MFN tarrif:5.5%。general tariff:20.0%

分子结构与计算化学数据

分子结构数据

1、摩尔折射率:44.16

2、摩尔体积(cm3/mol):129.3

3、等张比容(90.2K):355.8

4、表面张力(dyne/cm):57.2

5、极化率(10-24cm3):17.50

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:4

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91.6

7.重原子数量:13

8.表面电荷:0

9.复杂度:220

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

热门化工词典词汇