2-氯甲苯

外观与性状：

透明液体

密度：

1.083 g/mL at 25 °C(lit.)

熔点：

-36 °C

沸点：

157-159 °C(lit.)

闪点：

117 °F

水溶解性：

slightly soluble

折射率：

n20/D 1.525(lit.)

蒸汽密度：

4.38 (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.避免与氧化物接触。干燥的邻氯甲苯对金属无腐蚀性，但不宜用铜制容器。在加热和水分的影响下，逐渐放出腐蚀性强的氯化氢。

其它信息：

1.       性状：无色透明液体，有类似杏仁的气味。

2.       沸点（ºC,101.3kPa）：159.2

3.       熔点（ºC,纯度99.6%(mol)）：-35.59

4.       相对密度（g/mL,20/4ºC）：1.0817

5.       蒸汽相对密度（g/mL,空气=1）：4.37

6.       折射率（n20ºC）：1.5267

7.       黏度（mPa·s,15ºC）：1.037

8.       闪点（ºC,开口）：57.8

9.       蒸发热（KJ/kg,158.07ºC）：304.0

10.    体膨胀系数（K^-1,30ºC）：0.00092

11.    溶解性：能溶于苯、甲苯、醇、醚、酮、乙酸丁酯、1,2-二氯乙烷、氯仿等多种有机溶剂中。25℃时在水中溶解度为0.037%；水在邻氯甲苯中的溶解度为0.014%。

12.   相对密度（20℃，4℃）：1.0726

13.   常温折射率（n²⁵）：1.5203³⁰

14.   相对密度（25℃，4℃）：1.08728³⁰

15.   液相标准热熔(J·mol^-1·K^-1)：198.5

包装等级：

III

风险类别：

3

海关代码：

29036990

WGK_Germany：

2
德国有关水污染物质的分类清单

危险类别码：

R20;R51/53

安全说明：

S24/25-S61-S45-S36/37-S16-S7

RTECS号：

XS9000000

安全标志：

S61:避免排放到环境中。参考专门的说明/安全数据表。
S24/25:防止皮肤和眼睛接触。

危险标志：

Xn:Harmful

CHEMICAL IDENTIFICATION

RTECS NUMBER :

XS9000000

CHEMICAL NAME :

Toluene, o-chloro-

CAS REGISTRY NUMBER :

95-49-8

BEILSTEIN REFERENCE NO. :

1904175

LAST UPDATED :

199712

DATA ITEMS CITED :

28

MOLECULAR FORMULA :

C7-H7-Cl

MOLECULAR WEIGHT :

126.59

WISWESSER LINE NOTATION :

GR B1

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 :

3900 mg/kg

TOXIC EFFECTS :

Sense Organs and Special Senses (Eye) - effect, not otherwise specified Behavioral - tremor Behavioral - excitement

REFERENCE :

GTPZAB Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1-36, 1957-1992. For publisher information, see MTPEEI Volume(issue)/page/year: 25(10),56,1981

TYPE OF TEST :

LCLo - Lowest published lethal concentration

ROUTE OF EXPOSURE :

Inhalation

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

4400 ppm

TOXIC EFFECTS :

Behavioral - convulsions or effect on seizure threshold Behavioral - ataxia Lungs, Thorax, or Respiration - respiratory stimulation

REFERENCE :

85INA8 "Documentation of the Threshold Limit Values and Biological Exposure Indices," 5th ed., Cincinnati, OH, American Conference of Governmental Industrial Hygienists, Inc., 1986 Volume(issue)/page/year: 6,308,1991

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Unreported

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

5700 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 45(12),64,1980

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

2500 mg/kg

TOXIC EFFECTS :

Sense Organs and Special Senses (Eye) - effect, not otherwise specified Behavioral - tremor Behavioral - excitement

REFERENCE :

GTPZAB Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1-36, 1957-1992. For publisher information, see MTPEEI Volume(issue)/page/year: 25(10),56,1981

TYPE OF TEST :

LCLo - Lowest published lethal concentration

ROUTE OF EXPOSURE :

Inhalation

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

4400 ppm

TOXIC EFFECTS :

Behavioral - convulsions or effect on seizure threshold Behavioral - ataxia Lungs, Thorax, or Respiration - respiratory stimulation

REFERENCE :

85INA8 "Documentation of the Threshold Limit Values and Biological Exposure Indices," 5th ed., Cincinnati, OH, American Conference of Governmental Industrial Hygienists, Inc., 1986 Volume(issue)/page/year: 6,308,1991

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Unreported

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

4400 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 45(12),64,1980

TYPE OF TEST :

LCLo - Lowest published lethal concentration

ROUTE OF EXPOSURE :

Inhalation

SPECIES OBSERVED :

Rodent - guinea pig

DOSE/DURATION :

4400 ppm

TOXIC EFFECTS :

Behavioral - convulsions or effect on seizure threshold Behavioral - ataxia Lungs, Thorax, or Respiration - respiratory stimulation

REFERENCE :

85INA8 "Documentation of the Threshold Limit Values and Biological Exposure Indices," 5th ed., Cincinnati, OH, American Conference of Governmental Industrial Hygienists, Inc., 1986 Volume(issue)/page/year: 6,308,1991

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Unreported

SPECIES OBSERVED :

Rodent - guinea pig

DOSE/DURATION :

3 gm/kg

TOXIC EFFECTS :

Behavioral - somnolence (general depressed activity) Behavioral - excitement Lungs, Thorax, or Respiration - respiratory depression

REFERENCE :

GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 46(2),67,1981 ** OTHER MULTIPLE DOSE TOXICITY DATA **

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

35910 mg/kg/9W-I

REFERENCE :

GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 46(2),67,1981 *** REVIEWS *** ACGIH TLV-TWA 259 mg/m3 (50 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 *** OCCUPATIONAL EXPOSURE LIMITS *** OEL-AUSTRALIA:TWA 50 ppm (250 mg/m3);STEL 75 ppm (375 mg/m3) JAN 1993 OEL-BELGIUM:TWA 50 ppm (259 mg/m3);STEL 75 ppm (388 mg/m3) JAN 1993 OEL-DENMARK:TWA 50 ppm (250 mg/m3);Skin JAN 1993 OEL-FINLAND:TWA 50 ppm (260 mg/m3);STEL 75 ppm (390 mg/m3);Skin JAN 1993 OEL-FRANCE:TWA 50 ppm (250 mg/m3) JAN 1993 OEL-THE NETHERLANDS:TWA 50 ppm (250 mg/m3);Skin JAN 1993 OEL-RUSSIA:STEL 10 mg/m3;Skin JAN 1993 OEL-SWITZERLAND:TWA 50 ppm (250 mg/m3);Skin JAN 1993 OEL-UNITED KINGDOM:TWA 50 ppm (250 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 o-CHLOROTOLUENE-air:10H TWA 50 ppm;STEL 75 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 - X1254 No. of Facilities: 62 (estimated) No. of Industries: 2 No. of Occupations: 8 No. of Employees: 11617 (estimated) No. of Female Employees: 963 (estimated)

毒理学数据：

1、   急性毒性：大鼠经口LD50：3900mg/kg

              小鼠经口LD5O：2500mg/kg

              大鼠吸入LCLO：4400ppm

小鼠吸入LCLO：4400ppm

豚鼠吸入LCLO：4400ppm

2、生理作用与氯苯相似，主要经呼吸道吸收，对黏膜（尤以眼结膜）有刺激作用。对中枢神经和内脏都有损害。皮肤接触可引起红斑和大疱乃至湿疹。工作场所最高容许浓度为250mg/m3（美国）。

 

生态数据：

该物质对环境有危害，建议不要让其进入环境。应特别注意对水体的污染。

分子结构数据

1、   摩尔折射率：35.97

2、   摩尔体积（cm³/mol）：117.6    

3、   等张比容（90.2K）：280.7

4、   表面张力（dyne/cm）：32.4

5、   介电常数：

6、   偶极距（10-24cm3）：

7、   极化率：14.26

 

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:0

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0

7.重原子数量:8

8.表面电荷:0

9.复杂度:70.8

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

• 
  2-氯甲苯质谱(MS)
• 
  2-氯甲苯核磁图(¹³CNMR)
• 
  2-氯甲苯核磁图(¹HNMR)
• 
  2-氯甲苯红外图谱(IR1)
• 
  2-氯甲苯红外图谱(IR2)