海关代码：

2908199090

WGK_Germany：

1
德国有关水污染物质的分类清单

危险类别码：

R22;R36/38;R43

安全说明：

S24-S37

RTECS号：

ZE6850000

安全标志：

S24:避免接触皮肤。
S37:使用合适的防护手套。

危险标志：

Xn:Harmful

CHEMICAL IDENTIFICATION

RTECS NUMBER :

ZE6850000

CHEMICAL NAME :

3,5-Xylenol, 4-chloro-

CAS REGISTRY NUMBER :

88-04-0

BEILSTEIN REFERENCE NO. :

1862539

LAST UPDATED :

199701

DATA ITEMS CITED :

9

MOLECULAR FORMULA :

C8-H9-Cl-O

MOLECULAR WEIGHT :

156.62

WISWESSER LINE NOTATION :

QR DG C1 E1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :

Standard Draize test

ROUTE OF EXPOSURE :

Administration into the eye

SPECIES OBSERVED :

Rodent - rabbit

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

3830 mg/kg

TOXIC EFFECTS :

Lungs, Thorax, or Respiration - other changes Gastrointestinal - other changes Kidney, Ureter, Bladder - other changes

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

1 gm/kg

TOXIC EFFECTS :

Behavioral - altered sleep time (including change in righting reflex) Behavioral - ataxia Gastrointestinal - other changes

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Intraperitoneal

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

115 gm/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

DOSE :

17100 mg/kg

SEX/DURATION :

female 1-19 day(s) after conception

TOXIC EFFECTS :

Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus) Reproductive - Specific Developmental Abnormalities - musculoskeletal system

MUTATION DATA

TYPE OF TEST :

Mutation test systems - not otherwise specified

TEST SYSTEM :

Bacteria - Escherichia coli

DOSE/DURATION :

100 umol/L

REFERENCE :

MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 307,141,1994 *** U.S. STANDARDS AND REGULATIONS *** EPA FIFRA 1988 PESTICIDE SUBJECT TO REGISTRATION OR RE-REGISTRATION FEREAC Federal Register. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) V.1- 1936- Volume(issue)/page/year: 54,7740,1989 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 80083 No. of Facilities: 10592 (estimated) No. of Industries: 94 No. of Occupations: 137 No. of Employees: 441808 (estimated) No. of Female Employees: 223953 (estimated)

中国海关编码：2908199090

概述：

HS:2908199090 其他酚及酚醇的仅含卤素取代基的衍生物及其盐 增值税率:17.0% 退税率:9.0% 监管条件:无 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：

HS: 2908199090. derivatives of polyphenols or phenol-alcohols containing only halogen substituents and their salts. VAT:17.0%. tax rebate rate:9.0%. supervision conditions:None. MFN tariff:5.5%. general tariff:30.0%

分子结构数据

1、  摩尔折射率：42.67

2、  摩尔体积（cm³/mol）：132.3

3、  等张比容（90.2K）：333.4

4、  表面张力（dyne/cm）：40.2

5、  极化率（10-24cm3）：16.91

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:1

3.氢键受体数量:1

4.可旋转化学键数量:0

5.互变异构体数量:5

6.拓扑分子极性表面积20.2

7.重原子数量:10

8.表面电荷:0

9.复杂度:104

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

• 
  4-氯-3
• 
  5-二甲苯酚质谱(MS)
• 
  4-氯-3
• 
  5-二甲苯酚核磁图(¹³CNMR)
• 
  4-氯-3
• 
  5-二甲苯酚核磁图(¹HNMR)