3-苯氧基噻吩

  • 基本信息
  • 物化性质
  • 安全信息
  • 毒理性
  • 海关数据
  • 结构与计算化学
  • 上游产品
  • 下游产品

3-苯氧基噻吩 基本信息

中文名称:
3-苯氧基噻吩 
中文别名:
溶剂黄 5;
溶剂黄5;
溶剂黄 S;
荧光黄YJP-1 
英文名称:
2-Naphthalenamine,1-(2-phenyldiazenyl)-
英文别名:
1-phenyldiazenylnaphthalen-2-amine;
Yellow No. 2;
1-phenylazonaphthalen-2-amine;
1-benzeneazo-2-amino-naphthalene;
2-amino-1-phenylazonaphthalene;
Solvent Yellow 5;
C Yellow 3;
YELLOW AB;
Jaune AB;
C.I. Solvent Yellow 5;
Dolkwal Yellow AB;
Grasal Yellow;
C.I. Food Yellow 10;
1-phenylazo-2-aminonaphthalene;
1-phenylazo-naphthalen-2-ylamine;
1-phenylazo-[2]naphthylamine;
Cerisol Yellow AB 
CAS No.:
85-84-7
分 子 式:
C16H13N3
分 子 量:
247.29
精确分子量:
247.11100
PSA:
50.74000
EINECS:
201-636-3
InChI:
The Key: KLCDQSGLLRINHY-UHFFFAOYSA-N
分子结构式:
SDS:
查看

3-苯氧基噻吩 物化性质

密度:
1.173g/cm3
熔点:
102-104ºC
沸点:
458.035ºC at 760 mmHg
闪点:
230.811ºC
折射率:
1.647

3-苯氧基噻吩 安全信息

海关代码:
2927000090

3-苯氧基噻吩 毒理性

CHEMICAL IDENTIFICATION

RTECS NUMBER :
QM4725000
CHEMICAL NAME :
2-Naphthylamine, 1-(phenylazo)-
CAS REGISTRY NUMBER :
85-84-7
LAST UPDATED :
199701
DATA ITEMS CITED :
13
MOLECULAR FORMULA :
C16-H13-N3
MOLECULAR WEIGHT :
247.32
WISWESSER LINE NOTATION :
L66J BNUNR& CZ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1 gm/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 :
Oral
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
1 gm/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 :
Rodent - rabbit
DOSE/DURATION :
1 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
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
36400 mg/kg/2Y-C
TOXIC EFFECTS :
Blood - changes in cell count (unspecified) 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 :
Mammal - dog
DOSE/DURATION :
45625 mg/kg/1Y-C
TOXIC EFFECTS :
Related to Chronic Data - death
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
8190 mg/kg/65W-C
TOXIC EFFECTS :
Tumorigenic - equivocal tumorigenic agent by RTECS criteria Gastrointestinal - tumors Kidney, Ureter, Bladder - Kidney tumors

MUTATION DATA

TEST SYSTEM :
Rodent - rat
DOSE/DURATION :
500 mg/kg
REFERENCE :
ENMUDM Environmental Mutagenesis. (New York, NY) V.1-9, 1979-87. For publisher information, see EMMUEG. Volume(issue)/page/year: 7,101,1985 *** REVIEWS *** 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: 8,279,1975 IARC Cancer Review:Human No Adequate Data 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: 8,279,1975 IARC Cancer Review:Group 3 IMSUDL IARC Monographs, Supplement. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) No.1- 1979- Volume(issue)/page/year: 7,56,1987 TOXICOLOGY REVIEW ZEKBAI Zeitschrift fuer Krebsforschung. (Berlin, Fed. Rep. Ger.) V.1-75, 1903-71. For publisher information, see JCROD7. Volume(issue)/page/year: 60,344,1955

3-苯氧基噻吩 海关数据

中国海关编码:2927000090

概述:
2927000090 其他重氮化合物、偶氮化合物等(包括氧化偶氮化合物). 增值税率:17.0% 退税率:9.0% 监管条件:无 最惠国关税:6.5% 普通关税:30.0%
申报要素:
品名, 成分含量, 用途
摘要/Summary:
2927000090 other diazo-, azo- or azoxy-compounds。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:6.5%。General tariff:30.0%

3-苯氧基噻吩 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):4.3

2.氢键供体数量:1

3.氢键受体数量:3

4.可旋转化学键数量:2

5.互变异构体数量:2

6.拓扑分子极性表面积:50.7

7.重原子数量:19

8.表面电荷:0

9.复杂度:309

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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