N,N-二乙基-2-甲基苯甲酰胺

N,N-二乙基-2-甲基苯甲酰胺 基本信息
CAS号 2728-04-3 分子式 C12H17NO
分子量 191.26900 精确质量 　191.13100
PSA 　20.31000 LogP 　2.47700
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目录
基本信息 物化性质 安全信息 合成路线 毒性 MSDS 海关数据 上下游

基本信息 展开↓

CAS号：
2728-04-3
3D弹球模型：
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分子式：
C12H17NO
分子量：
191.26900
中文名称：
N,N-二乙基-2-甲基苯甲酰胺
英文名称：
N,N-Diethyl-2-methylbenzamide
中文别名：
N,N-二乙基-2-甲基苯甲酰胺
英文别名：
N,N-Diethyl-2-methylbenzamide;
o-toluic acid diethylamide;
2-Methyl-N,N-diethylbenzamide;
o-DETA;
o-DEET;
N,N-diethyl-2-toluamide;
N,N-diethyl ortho-toluamide;
Benzamide,N,N-diethyl-2-methyl;
N,N-diethyl-2-methyl-benzamide;
N,N-Diethyl-o-toluamide
精确分子量/精确质量：
191.13100
极性分子表面积/PSA：
20.31000
油水分配系数/LogP：

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值，反映了物质在油水两相中的分配情况。其中、LogP值越大，说明该物质越亲油；反之，LogP值越小，则说明该物质越亲水。
InChI：
The Key: KUYQDJOFVBGZID-UHFFFAOYSA-N

物化性质展开↓

密度：
0.985g/cm3
沸点：
316.7ºC at 760mmHg
闪点：
139.8ºC

安全信息展开↓

海关代码：
2924299090

合成路线查看所有的合成路线

  • 933-88-0

    邻甲基苯甲酰氯

  • +

  • 109-89-7

    二乙胺

  • →

    ~98%

  • 2728-04-3

    N,N-二乙基-2-甲基苯甲酰胺

  • 615-37-2

    2-碘代甲苯

  • +

  • 201230-82-2

    carbon monoxide

  • +

  • 109-89-7

    二乙胺

  • →

    ~92%

  • 2728-04-3

    N,N-二乙基-2-甲基苯甲酰胺

  • 1696-17-9

    N,N-二乙基苯甲酰胺

  • +

  • 74-88-4

    甲基碘

  • →

    ~87%

  • 2728-04-3

    N,N-二乙基-2-甲基苯甲酰胺

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XS3850000
CHEMICAL NAME :
o-Toluamide, N,N-diethyl-
CAS REGISTRY NUMBER :
2728-04-3
BEILSTEIN REFERENCE NO. :
2257532
LAST UPDATED :
199707
DATA ITEMS CITED :
5
MOLECULAR FORMULA :
C12-H17-N-O
MOLECULAR WEIGHT :
191.30
WISWESSER LINE NOTATION :
2N2&VR B1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Human
REFERENCE :
TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 1,97,1959
TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 1,97,1959 ** ACUTE TOXICITY DATA **
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
1210 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 7,772,1965 ** OTHER MULTIPLE DOSE TOXICITY DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
52500 mg/kg/30W-C
TOXIC EFFECTS :
Liver - changes in liver weight Kidney, Ureter, Bladder - changes in bladder weight Nutritional and Gross Metabolic - weight loss or decreased weight gain
REFERENCE :
TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 7,772,1965 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X1410 No. of Facilities: 180 (estimated) No. of Industries: 2 No. of Occupations: 4 No. of Employees: 4511 (estimated)

MSDS 展开↓

  Material Safety Data Sheet
Section 1. Identification of the substance
    Product Name:      N,N-Diethyl-2-methylbenzamide    
    Synonyms:
Section 2. Hazards identification
    Harmful by inhalation, in contact with skin, and if swallowed.
Section 3. Composition/information on ingredients.
    Ingredient name:        N,N-Diethyl-2-methylbenzamide    
    CAS number:        2728-04-3    
Section 4. First aid measures
    Skin contact:        Immediately wash skin with copious amounts of water for at least 15 minutes while removing    
    contaminated clothing and shoes. If irritation persists, seek medical attention.
    Eye contact:        Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate    
    flushing of the eyes by separating the eyelids with fingers. If irritation persists, seek medical
    attention.
    Inhalation:        Remove to fresh air. In severe cases or if symptoms persist, seek medical attention.    
    Ingestion:        Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.    
Section 5. Fire fighting measures
    In the event of a fire involving this material, alone or in combination with other materials, use dry
    powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus
    should be worn.
Section 6. Accidental release measures
    Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national
    standards.
    Respiratory precaution:        Wear approved mask/respirator    
    Hand precaution:        Wear suitable gloves/gauntlets    
    Skin protection:        Wear suitable protective clothing    
    Eye protection:        Wear suitable eye protection    
    Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container
    for disposal. See section 12.
    Environmental precautions: Do not allow material to enter drains or water courses.
Section 7. Handling and storage
    Handling:        This product should be handled only by, or under the close supervision of, those properly qualified    
    in the handling and use of potentially hazardous chemicals, who should take into account the fire,
    health and chemical hazard data given on this sheet.
    Store in closed vessels.
    Storage:
Section 8. Exposure Controls / Personal protection
    Engineering Controls: Use only in a chemical fume hood.
    Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles.
    General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse.
Section 9. Physical and chemical properties
    Appearance:        Not specified    
    Boiling point:        No data    
    No data
    Melting point:
    Flash point:        No data    
    Density:        No data    
    Molecular formula:        C12H17NO    
    Molecular weight:        191.3    
Section 10. Stability and reactivity
    Conditions to avoid: Heat, flames and sparks.
    Materials to avoid: Oxidizing agents.
    Possible hazardous combustion products: Carbon monoxide, nitrogen oxides.
Section 11. Toxicological information
    No data.
Section 12. Ecological information
    No data.
Section 13. Disposal consideration
    Arrange disposal as special waste, by licensed disposal company, in consultation with local waste
    disposal authority, in accordance with national and regional regulations.
Section 14. Transportation information
    Non-harzardous for air and ground transportation.
Section 15. Regulatory information
    No chemicals in this material are subject to the reporting requirements of SARA Title III, Section
    302, or have known CAS numbers that exceed the threshold reporting levels established by SARA
    Title III, Section 313.

SECTION 16 - ADDITIONAL INFORMATION
N/A

海关数据查看详细

中国海关编码：2924299090

概述：
2924299090. 其他环酰胺（包括环氨基甲酸酯）（包括其衍生物以及他们的盐）. 增值税率:17.0%. 退税率:13.0%. 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, 包装
摘要/Summary：
2924299090. other cyclic amides (including cyclic carbamates) and their derivatives; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

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