1-Propanone,1-[2-[2-(diethylamino)ethoxy]phenyl]-3-phenyl-, hydrochloride (9CI)

物化性质

密度：

1.043g/cm3

沸点：

464.2ºC at 760mmHg

闪点：

234.5ºC

蒸汽压：

8.53E-09mmHg at 25°C

安全信息

密度：

1.043g/cm3

沸点：

464.2ºC at 760mmHg

闪点：

234.5ºC

蒸汽压：

8.53E-09mmHg at 25°C

毒理性

CHEMICAL IDENTIFICATION

RTECS NUMBER :

UH0350000

CHEMICAL NAME :

Propiophenone, 2'-(2-(diethylamino)ethoxy)-3-phenyl-, hydrochloride

CAS REGISTRY NUMBER :

2192-21-4

LAST UPDATED :

199112

DATA ITEMS CITED :

9

MOLECULAR FORMULA :

C21-H27-N-O2.Cl-H

MOLECULAR WEIGHT :

361.95

WISWESSER LINE NOTATION :

2N2&2OR BV2R &GH

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 :

716 mg/kg

TOXIC EFFECTS :

Behavioral - convulsions or effect on seizure threshold

REFERENCE :

ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 19,1664,1969

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Intraperitoneal

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

66 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: -,180,1990

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Subcutaneous

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

1900 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: -,180,1990

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Intravenous

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

20800 ug/kg

TOXIC EFFECTS :

Behavioral - convulsions or effect on seizure threshold

REFERENCE :

ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 19,1664,1969

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

352 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: 6,109,1982

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Intraperitoneal

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

90 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: -,180,1990

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Subcutaneous

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

234 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

PCJOAU Pharmaceutical Chemistry Journal (English Translation). Translation of KHFZAN. (Plenum Pub. Corp., 233 Spring St., New York, NY 10013) No.1- 1967- Volume(issue)/page/year: 21,646,1987

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Intravenous

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

28 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

PCJOAU Pharmaceutical Chemistry Journal (English Translation). Translation of KHFZAN. (Plenum Pub. Corp., 233 Spring St., New York, NY 10013) No.1- 1967- Volume(issue)/page/year: 23,966,1989

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Mammal - dog

DOSE/DURATION :

50 mg/kg

TOXIC EFFECTS :

Behavioral - convulsions or effect on seizure threshold

REFERENCE :

ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 19,1664,1969

MSDS

Version 1.2
Regulation (EC) No 1907/2006
1 - Product and Company Information
Product Name2'-(2-DIETHYLAMINOETHOXY)-DIHYDROCHALCO&
2 - Hazards Identification
3 - Composition/Information on Ingredients
Product NameCAS #EC noAnnex I
Index Number
2'-(2-DIETHYLAMINOETHOXY)-DIHYDROC 2192-21-4 218-587-9 None
HALCONEHYDROCHLORIDE
FormulaC21H27NO2.ClH
Molecular Weight 361,8900 AMU
SynonymsAsamedol * Baxacor * Corodilan * Dialicor *
Dialicor hydrochloride *
1-(2-(2-(Diethylamino)ethoxy)phenyl)-3-phenyl-1-p
ropanone hydrochloride *
(O-beta-Diethylaminoethoxy)-phenyl propiophenone
hydrochloride * Etafenone hydrochloride * Etafon
hydrochloride * Hetaphenone * L.G. 11,457
hydrochloride * Pagano-cor *
beta-Phenyl-o-(diethylaminoethoxy)propiophenone
hydrochloride * 1-Propanone,
1-(2-(2-(diethylamino)ethoxy)phenyl)-3-phenyl-,
hydrochloride (9CI) * Relicor * Relicor
hydrochloride
4 - First Aid Measures
AFTER INHALATION
If inhaled, remove to fresh air. If not breathing give
artificial respiration. If breathing is difficult, give oxygen.
AFTER INGESTION
If swallowed, wash out mouth with water provided person is
conscious. Call a physician.
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5 - Fire Fighting Measures
EXTINGUISHING MEDIA
Suitable: Water spray. Carbon dioxide, dry chemical powder, or
appropriate foam.
SPECIAL RISKS
Specific Hazard(s): Emits toxic fumes under fire conditions.
SPECIAL PROTECTIVE EQUIPMENT FOR FIREFIGHTERS
Wear self-contained breathing apparatus and protective clothing
to prevent contact with skin and eyes.
6 - Accidental Release Measures
PERSONAL PRECAUTION PROCEDURES TO BE FOLLOWED IN CASE OF LEAK OR SPILL
Evacuate area.
PROCEDURE(S) OF PERSONAL PRECAUTION(S)
Wear self-contained breathing apparatus, rubber boots, and heavy
rubber gloves.
METHODS FOR CLEANING UP
Sweep up, place in a bag and hold for waste disposal. Avoid
raising dust. Ventilate area and wash spill site after material
pickup is complete.
7 - Handling and Storage
HANDLING
Directions for Safe Handling: Do not breathe dust. Do not get in
eyes, on skin, on clothing. Avoid prolonged or repeated exposure.
STORAGE
Conditions of Storage: Keep tightly closed. Store in a cool dry
place.
8 - Exposure Controls / Personal Protection
ENGINEERING CONTROLS
Safety shower and eye bath. Use only in a chemical fume hood.
GENERAL HYGIENE MEASURES
Wash thoroughly after handling.
PERSONAL PROTECTIVE EQUIPMENT
Special Protective Measures: Wear appropriate government approved
respirator, chemical-resistant gloves, safety goggles, other
protective clothing.
9 - Physical and Chemical Properties
pH N/A
BP/BP RangeN/A
MP/MP Range129,000. - 130,000 °
C.
Flash PointN/A
FlammabilityN/A
Autoignition TempN/A
Oxidizing Properties N/A
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Explosive Properties N/A
Explosion LimitsN/A
Vapor PressureN/A
Partition Coefficient N/A
ViscosityN/A
Vapor DensityN/A
Saturated Vapor Conc. N/A
Evaporation RateN/A
Bulk DensityN/A
Decomposition Temp.N/A
Solvent ContentN/A
Water ContentN/A
Surface TensionN/A
ConductivityN/A
Miscellaneous DataN/A
SolubilityN/A
10 - Stability and Reactivity
STABILITY
Materials to Avoid: Strong oxidizing agents.
HAZARDOUS DECOMPOSITION PRODUCTS
Hazardous Decomposition Products: Carbon monoxide, Carbon dioxide,
Nitrogen oxides, Hydrogen chloride gas.
11 - Toxicological Information
RTECS NUMBER: UH0350000
ACUTE TOXICITY
LD50 LD50
Oral Oral
Rat Rat
716,000000 mg/kg 716,000000 mg/kg
Remarks: Behavioral:Convulsions or effect on seizure threshold.
Behavioral:Convulsions or effect on seizure threshold.
LD50 LD50
Intraperitoneal Intraperitoneal
Rat Rat
66 MG/KG 66 MG/KG
LD50 LD50
Subcutaneous Subcutaneous
Rat Rat
1900 MG/KG 1900 MG/KG
LD50 LD50
Intravenous Intravenous
Rat Rat
20800 UG/KG 20800 UG/KG
Remarks: Behavioral:Convulsions or effect on seizure threshold.
Behavioral:Convulsions or effect on seizure threshold.
LD50 LD50
Oral Oral
Mouse Mouse
352,000000 mg/kg 352,000000 mg/kg
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LD50 LD50
Intraperitoneal Intraperitoneal
Mouse Mouse
90 MG/KG 90 MG/KG
LD50 LD50
Subcutaneous Subcutaneous
Mouse Mouse
234 MG/KG 234 MG/KG
LD50 LD50
Intravenous Intravenous
Mouse Mouse
28 MG/KG 28 MG/KG
LD50 LD50
Oral Oral
Dog Dog
50,000000 mg/kg 50,000000 mg/kg
Remarks: Behavioral:Convulsions or effect on seizure threshold.
Behavioral:Convulsions or effect on seizure threshold.
SIGNS AND SYMPTOMS OF EXPOSURE
To the best of our knowledge, the chemical, physical, and
toxicological properties have not been thoroughly investigated.
ROUTE OF EXPOSURE
Inhalation: Material is irritating to mucous membranes and upper
respiratory tract.
Multiple Routes: May be fatal if inhaled, swallowed, or absorbed
through skin. Causes eye and skin irritation.
TARGET ORGAN INFORMATION
Nerves. Heart.
12 - Ecological Information
No data available.
13 - Disposal Considerations
SUBSTANCE DISPOSAL
Dissolve or mix the material with a combustible solvent and burn
in a chemical incinerator equipped with an afterburner and
scrubber. Observe all federal, state, and local environmental
regulations.
14 - Transport Information
RID/ADR
Non-hazardous for road transport.
IMDG
Non-hazardous for sea transport.
IATA
Non-hazardous for air transport.
15 - Regulatory Information
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COUNTRY SPECIFIC INFORMATION
Germany
WGK: 3
Self-Classification
16 - Other Information
WARRANTY
The above information is believed to be correct but does not
purport to be all inclusive and shall be used only as a guide. The
information in this document is based on the present state of our
knowledge and is applicable to the product with regard to
appropriate safety precautions. It does not represent any
guarantee of the properties of the product. Inc.,
shall not be held liable for any damage resulting from handling or
from contact with the above product. See reverse side of invoice
or packing slip for additional terms and conditions of sale.
Copyright 2010 Co. License granted to make
unlimitedpaper copies for internal use only.
DISCLAIMER
For R&D use only. Not for drug, household or other uses.
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SECTION 16 - ADDITIONAL INFORMATION
N/A

海关数据

中国海关编码：2922509090

概述：

2922509090. 其他氨基醇酚、氨基酸酚及其他含氧基氨基化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件：AB. 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, 乙醇胺及其盐应报明色度, 乙醇胺及其盐应报明包装

监管条件：

A.入境货物通关单B.出境货物通关单

检验检疫：

R.进口食品卫生监督检验S.出口食品卫生监督检验

摘要/Summary：

2922509090. other amino-alcohol-phenols, amino-acid-phenols and other amino-compounds with oxygen function. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

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）:无

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:10

5.互变异构体数量:2

6.拓扑分子极性表面积:29.5

7.重原子数量:25

8.表面电荷:0

9.复杂度:348

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:2