1-氯-4-硝基苯

外观与性状：

淡黄色晶体

密度：

1.298 g/mL at 25 °C(lit.)

熔点：

80-83 °C(lit.)

沸点：

242 °C(lit.)

闪点：

>230 °F

水溶解性：

Insoluble

折射率：

1.5376 (100ºC)

蒸汽压：

0.0541mmHg at 25°C

蒸汽密度：

5.4 (vs air)

存储条件/存储方法：

库房通风低温干燥,与氧化剂、食品添加剂分开存放

稳定性相关：

1.避免与强氧化剂、强碱、强还原剂接触。遇明火、高热可燃烧，与强氧化剂发生反应。

2.本品剧毒。经皮肤吸收或吸入其蒸气均可引起中毒，尤其与乙醇共同使用时，因生成高铁血红蛋白，会引起急性中毒致死。饮酒会加速中枢神经和血液中毒，形成过敏症。生产车间要有良好的通风设备，要密闭，严防跑、冒、滴、漏。操作人员要穿戴防护用具。
　

 

其它信息：

1.      性状：浅黄色单斜棱形晶体，工业品为浅黄色至浅褐色熔铸体。

2.      密度（g/mL,90/4℃）：1.2979

3.      相对蒸汽密度（g/mL,空气=1）：5.43

4.      熔点（ºC）：83~84

5.      沸点（ºC,常压）：242

6.      闪点（ºC）：127 

7.      蒸气压（kPa,38ºC）：0.03

8.      溶解性：不溶于水，微溶于乙醇、乙醚、二硫化碳。

包装等级：

II

风险类别：

6.1

海关代码：

29049085

WGK_Germany：

2
德国有关水污染物质的分类清单

危险类别码：

R23/24/25;R40;R48/20/21/22;R51/53;R68

安全说明：

S28-S36/37-S45-S61-S28A

RTECS号：

CZ1050000

安全标志：

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）。
S61:避免排放到环境中。参考专门的说明/安全数据表。
:

危险标志：

T:Toxic

CHEMICAL IDENTIFICATION

RTECS NUMBER :

CZ1050000

CHEMICAL NAME :

Benzene, 1-chloro-4-nitro-

CAS REGISTRY NUMBER :

100-00-5

LAST UPDATED :

199712

DATA ITEMS CITED :

56

MOLECULAR FORMULA :

C6-H4-Cl-N-O2

MOLECULAR WEIGHT :

157.56

WISWESSER LINE NOTATION :

WNR DG

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 :

420 mg/kg

TOXIC EFFECTS :

Behavioral - somnolence (general depressed activity) Liver - fatty liver degeneration Blood - methemoglobinemia-carboxyhemoglobin

TYPE OF TEST :

LCLo - Lowest published lethal concentration

ROUTE OF EXPOSURE :

Inhalation

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

16100 mg/m3/4H

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 :

Administration onto the skin

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

16 gm/kg

TOXIC EFFECTS :

Behavioral - food intake (animal) Kidney, Ureter, Bladder - changes in tubules (including acute renal failure, acute tubular necrosis) Blood - methemoglobinemia-carboxyhemoglobin

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Intraperitoneal

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

420 mg/kg

TOXIC EFFECTS :

Behavioral - convulsions or effect on seizure threshold Behavioral - ataxia Blood - methemoglobinemia-carboxyhemoglobin

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

440 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 :

25 ppm/7H

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 :

Administration onto the skin

SPECIES OBSERVED :

Rodent - rabbit

DOSE/DURATION :

3040 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 :

1350 mg/kg/2W-I

TOXIC EFFECTS :

Liver - hepatitis (hepatocellular necrosis), zonal 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 - rat

DOSE/DURATION :

3640 mg/kg/2Y-I

TOXIC EFFECTS :

Blood - methemoglobinemia-carboxyhemoglobin Blood - changes in spleen Endocrine - changes in spleen weight

TYPE OF TEST :

TCLo - Lowest published toxic concentration

ROUTE OF EXPOSURE :

Inhalation

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

46 mg/m3/6H/4W-I

TOXIC EFFECTS :

Endocrine - changes in spleen weight Blood - methemoglobinemia-carboxyhemoglobin Blood - changes in erythrocyte (RBC) count

TYPE OF TEST :

TCLo - Lowest published toxic concentration

ROUTE OF EXPOSURE :

Inhalation

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

3 ppm/6H/13W-C

TOXIC EFFECTS :

Liver - other changes Blood - methemoglobinemia-carboxyhemoglobin Blood - changes in platelet count

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Subcutaneous

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

1 gm/kg/10D-I

TOXIC EFFECTS :

Blood - other changes

TYPE OF TEST :

TCLo - Lowest published toxic concentration

ROUTE OF EXPOSURE :

Inhalation

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

12 ppm/6H/13W-I

TOXIC EFFECTS :

Liver - changes in liver weight Kidney, Ureter, Bladder - changes in bladder weight Blood - changes in spleen

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

194 gm/kg/78W-C

TOXIC EFFECTS :

Tumorigenic - Carcinogenic by RTECS criteria Vascular - tumors Liver - tumors

TYPE OF TEST :

TD - Toxic dose (other than lowest)

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

390 gm/kg/78W-C

TOXIC EFFECTS :

Tumorigenic - Carcinogenic by RTECS criteria Vascular - tumors Liver - tumors

TYPE OF TEST :

TCLo - Lowest published toxic concentration

ROUTE OF EXPOSURE :

Inhalation

DOSE :

24 ppm/6H

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 :

DNA damage

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: 10(Suppl 10),1,1987 *** 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 0.64 mg/m3 (0.1 ppm) (skin) 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 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: 65,263,1996 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: 65,263,1996 IARC Cancer Review:Group 3 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: 65,263,1996 *** U.S. STANDARDS AND REGULATIONS *** MSHA STANDARD-air:TWA 1 mg/m3 (skin) 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: 3,184,1971 OSHA PEL (Gen Indu):8H TWA 1 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 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 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 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 *** OCCUPATIONAL EXPOSURE LIMITS *** OEL-AUSTRALIA:TWA 0.1 ppm (0.6 mg/m3);Skin JAN 1993 OEL-AUSTRIA:TWA 1 mg/m3;Skin JAN 1993 OEL-BELGIUM:TWA 0.1 ppm (0.64 mg/m3);Skin JAN 1993 OEL-DENMARK:TWA 1 mg/m3;Skin JAN 1993 OEL-FINLAND:TWA 1 mg/m3;STEL 3 mg/m3;Skin JAN 1993 OEL-GERMANY:TWA 1 mg/m3;Skin JAN 1993 OEL-HUNGARY:TWA 1 mg/m3;STEL 2 mg/m3;Skin JAN 1993 OEL-JAPAN:TWA 0.1 ppm (0.64 mg/m3);Skin JAN 1993 OEL-THE NETHERLANDS:TWA 1 mg/m3;Skin JAN 1993 OEL-THE PHILIPPINES:TWA 1 mg/m3;Skin JAN 1993 OEL-POLAND:TWA 1 mg/m3 JAN 1993 OEL-RUSSIA:TWA 0.1 ppm;STEL 1 mg/m3;Skin JAN 1993 OEL-SWITZERLAND:TWA 1 mg/m3;STEL 2 mg/m3;Skin JAN 1993 OEL-UNITED KINGDOM:TWA 1 mg/m3;STEL 2 mg/m3;Skin 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 p-NITROCHLOROBENZENE-air:CA lowest feasible conc. (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 NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 50775 No. of Facilities: 30 (estimated) No. of Industries: 4 No. of Occupations: 20 No. of Employees: 2948 (estimated) No. of Female Employees: 401 (estimated)

毒理学数据：

1、急性毒性：大鼠经口LD50：420mg/kg；兔经皮LD50：16000mg/kg

2、属高毒物品。工作场所空气中有毒物质时间加权平均容许浓度为0.6mg/m3；短时间接触容许浓度为1.8mg/m3。

 

生态数据：

该物质对环境有危害，应特别注意对水体的污染。

 

分子结构数据

1、摩尔折射率：37.69

2、摩尔体积（cm³/mol）：113.2

3、等张比容（90.2K）：298.6

4、表面张力（dyne/cm）：48.3

5、介电常数：

6、偶极距（10^-24cm³）：

7、极化率：14.94

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:无

6.拓扑分子极性表面积45.8

7.重原子数量:10

8.表面电荷:0

9.复杂度:126

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

• 
  1-氯-4-硝基苯质谱(MS)
• 
  1-氯-4-硝基苯核磁图(¹³CNMR)
• 
  1-氯-4-硝基苯核磁图(¹HNMR)
• 
  1-氯-4-硝基苯红外图谱(IR1)
• 
  1-氯-4-硝基苯红外图谱(IR2)
• 
  1-氯-4-硝基苯红外图谱(IR3)
• 
  1-氯-4-硝基苯Raman光谱