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N,N-ジメチルベンジルアミン

N,N-Dimethylbenzylamine

HCID 7681
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基本情報概要名称と識別子物性安全と法規制化学と産業関連反応化合物ノート
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基本情報

CAS
103-83-3
標準SMILES
CN(C)Cc1ccccc1
InChIKey
XXBDWLFCJWSEKW-UHFFFAOYSA-N
分子式
C9H13N
平均分子量
135.21 g/mol
単同位体質量
135.10479942

概要

Benzyldimethylamine appears as a colorless to light yellow liquid with an aromatic odor. Slightly less dense than water and slightly soluble in water. Corrosive to skin, eyes and mucous membranes. Slightly toxic by ingestion, skin absorption and inhalation. Used in the manufacture of adhesives and other chemicals.

名称と識別子

優先名称
N,N-Dimethylbenzylamine
IUPAC
N,N-dimethyl-1-phenylmethanamine
現地名
N,N-ジメチルベンジルアミン
英語名
N,N-Dimethylbenzylamine
分子式
C9H13N
分子量
135.21

名称と別名

N,N-DIMETHYLBENZYLAMINE103-83-3BenzyldimethylamineN-BenzyldimethylamineBDMABenzenemethanamine, N,N-dimethyl-Benzyl-N,N-dimethylamineN,N-DimethylbenzenemethanamineBenzylamine, N,N-dimethyl-N-(Phenylmethyl)dimethylamineAraldite accelerator 062N,N-Dimethyl-N-benzylamine
名称をさらに表示
N,N-ジメチルベンジルアミンN,N-ジメチル-α-フェニルメタンアミンジメチルベンジルアミン1-[(ジメチルアミノ)メチル]ベンゼンN,N-ジメチルフェニルメタンアミン(ジメチルアミノメチル)ベンゼンN,N-ジメチルベンゼンメタンアミン[(ジメチルアミノ)メチル]ベンゼンスミン2015N-ベンジルジメチルアミンベンジルジメチルアミンＮベンジルジメチルアミンベンンジルジメチルアミンN,N‐ジメチルベンジルアミンN,N- ジメチルベンジルアミンベンジルジメチルアミン, research gradeN,N-DiMethyl-1-phenylMethanaMineN,N-DIETHYLBENZYLAMINEDabco BDMAN,N-Dimethyl(phenyl)methanamineBENZYLDIETHYLAMINEN-BENZYLDIETHYLAMINEN-Dimethylbenzylamine
Sumine 2015N-Benzyl-N,N-dimethylamineDTXSID8021854TYP7AXQ1YJNSC-5342DTXCID801854RefChem:822589203-149-1

データベース識別子

CAS
103-83-3、28262-13-7
PubChem CID
7681
DTXSID
DTXSID8021854
ChEMBL
CHEMBL45591
ChEBI
CHEBI:231275
UNII
TYP7AXQ1YJ
EC Number
203-149-1
Nikkaji
J36.099F

物性

構造計算による物性補完中

XLogP
2
極性表面積
3.2 Ų
水素結合供与体数
0
水素結合受容体数
1
回転可能結合数
2
重原子数
10
形式電荷
0
複雑度
82.7

実験および物理化学的性質

Chemical Classes · 2 件

Nitrogen Compounds -> Amines, Aromatic

Corrosives

SpringerMaterials Properties15N nuclear magnetic resonance spectrum
LogP · 2 件

1.91

1.91

Density · 3 件

0.915 at 50 °F (USCG, 1999) - Less dense than water; will float

Relative density (water = 1): 0.9

0.915 @ 10°C

SolubilitySolubility in water, g/100ml: 1.2 (moderate)
Flash Point · 2 件

140 °F

57 °C o.c.

Boiling Point · 3 件

357.8 °F at 760 mmHg (USCG, 1999)

180 °C

181 °C @760 [mm Hg]

Melting Point · 2 件

-103 °F (USCG, 1999)

-75 °C

Vapor Pressure0.58 [mmHg]
Physical Description · 4 件

Benzyldimethylamine appears as a colorless to light yellow liquid with an aromatic odor. Slightly less dense than water and slightly soluble in water. Corrosive to skin, eyes and mucous membranes. Slightly toxic by ingestion, skin absorption and inhalation. Used in the manufacture of adhesives and other chemicals.

安全と法規制

安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。

GHS分類

GHS Classification · 6 件

Danger

H226: Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P261, P264, P270, P271, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)

This chemical does not meet GHS hazard criteria for 0.1% (1 of 850) of reports.

Danger

H226 (99.8%): Flammable liquid and vapor [Warning Flammable liquids]

危険有害性情報

Regulatory Information · 5 件

Chemical: Benzenemethanamine, N,N-dimethyl-

Benzenemethanamine, N,N-dimethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzenemethanamine, N,N-dimethyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

REACH registered substance: Benzyldimethylamine (EC: 203-149-1)

Benzyldimethylamine: Does not have an individual approval but may be used under an appropriate group standard

The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)

Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to human health
DOT LabelCorrosive Flammable Liquid
Fire Hazards · 3 件

Special Hazards of Combustion Products: Toxic vapors are generated when heated. (USCG, 1999)

· Flammable/combustible material.

Flammable. Gives off irritating or toxic fumes (or gases) in a fire. Above 57 °C explosive vapour/air mixtures may be formed.

化学と産業

用途と製造

Uses · 2 件

Used as a curing agent for epoxy resins; [Kanerva, p. 566] Used to manufacture adhesives and other chemicals; [CAMEO]

Plastic Composites Manufacturing [Category: Industry]

U.S. Production2023: 700,000 - <850,000 lb
Consumer UsesCatalyst
Industry UsesCatalyst
Household ProductsInformation on 1 consumer products that contain Benzyldimethylamine in the following categories is provided:
General Manufacturing Information · 2 件

Miscellaneous Manufacturing

Benzenemethanamine, N,N-dimethyl-: ACTIVE

応用分野 · 3 件

用途各種合成原料

使用N,N-Dimethylbenzylamine was used in the synthesis of bis[(N,N-dimethylamino)benzyl] selenide. It has been used as catalyst during curing reaction of formulations of diglycidyl ether of bisphenol A and tetrahydrophthalic anhydride. It undergoes directed ortho metalation with butyl lithium. It reacts with methyl iodide to get ammonium salt, which is used as phase transfer catalysts. Further, it is used as a catalyst for the formation of polyurethane foams and epoxy resins.

一般的な説明Benzyldimethylamine appears as a colorless to light yellow liquid with an aromatic odor. Slightly less dense than water and slightly soluble in water. Corrosive to skin, eyes and mucous membranes. Slightly toxic by ingestion, skin absorption and inhalation. Used in the manufacture of adhesives; dehydrohalogenating catalyst; corrosion inhibitor; acid neutralizer; potting compounds; cellulose modifier and quaternary ammonium compounds.

調製方法 · 3 件

関連反応

88 件
反応記録を作成
HRID 53080 の反応式
HRID 53080反応物としてuspto-grants-1997_04
HRID 115503 の反応式
HRID 115503反応物としてTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 151652 の反応式
HRID 151652反応物としてTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 159697 の反応式
HRID 159697反応物としてTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 166963 の反応式
HRID 166963反応物としてTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 182122 の反応式
HRID 182122生成物としてTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 208456 の反応式
HRID 208456反応物としてTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 258955 の反応式
HRID 258955反応物としてuspto-grants-1977_07
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化合物ノート

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Liquid

Clear to yellow liquid with a strong odor; [NJ-HSFS]

COLOURLESS LIQUID WITH CHARACTERISTIC ODOUR.

物理化学的性質

融点
-75 °C · -75 °C
沸点
183 · 183-184 °C765 mm Hg(lit.)
比重(密度)
0.9 g/mL · 0.9 g/mL at 25 °C(lit.)
蒸気圧
2.4 hPa · 2.4 hPa (20 °C)
屈折率
20 · n20/D 1.501(lit.)
闪点
130 °F · 130 °F
貯蔵温度
30 °C · Store below +30°C.
溶解性
水溶性
酸解離定数(Pka)
1 · pK1:9.02(+1) (25°C)
外見
液体
色
無色透明～薄黄色
PH
10 · 10 (10g/l, H2O, 20℃)(saturated solution)
臭い (Odor)
強烈な魚臭さ
爆発限界(explosive limit)
0.9 · 0.9-6.3%(V)
水溶解度
8 g/L · 8g/L（20℃）
BRN
1099620 · 1099620
安定性
安定。強酸、強酸化剤とは相容れない。
InChI
1S/C9H13N/c1-10(2)8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3
InChIKey
XXBDWLFCJWSEKW-UHFFFAOYSA-N
SMILES
CN(C)Cc1ccccc1
LogP
1.98 at · 1.98 at 25℃
CAS データベース
103 · 103-83-3(CAS DataBase Reference)
NISTの化学物質情報
Benzenemethanamine, N,N-dimethyl-(103-83-3)
EPAの化学物質情報
N,N-Dimethylbenzylamine (103-83-3)

化学的性質

化学的特性Colorless to light yellow flammable liquid with ammonia odor. Soluble in ethanol, ether, insoluble in water.

化学性质アリール基を持つアミン

Health Hazards · 2 件

Inhalation may be fatal as a result of spasm, inflammation and edema of the larynx and bronchi, chemical pneumonitis, and pulmonary edema. Symptoms of exposure may include burning sensation, coughing, wheezing, laryngitis, shortness of breath, headache, nausea, and vomitting. (USCG, 1999)

· May cause toxic effects if inhaled or ingested.

Hazards SummaryCorrosive to skin; [Quick CPC] A corrosive substance that can cause pulmonary edema; [ICSC]
DOT ID and Guide2619 132
Reactive GroupAmines, Phosphines, and Pyridines
EC ClassificationSymbol: C; R: 10-20/21/22-34-52/53; S: (1/2)-26-36-45-61
UN ClassificationUN Hazard Class: 8; UN Subsidiary Risks: 3; UN Pack Group: II
Reactivity Profile · 1 件

BENZYLDIMETHYLAMINE neutralizes acids on exothermic reactions to form salts plus water. May be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Flammable gaseous hydrogen is generated by amines in combination with strong reducing agents, such as hydrides. May attack some plastics (USCG, 1999).

Chemical DangersDecomposes on burning. This produces toxic fumes including nitrogen oxides. Reacts with acids. Reacts violently with strong oxidants.

安全と保護具

Fire Fighting · 2 件

Excerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:

Use water spray, powder, alcohol-resistant foam, carbon dioxide. In case of fire: keep drums, etc., cool by spraying with water.

First Aid Measures · 4 件

Fresh air, rest. Half-upright position. Artificial respiration may be needed. Refer for medical attention.

Remove contaminated clothes. Rinse skin with plenty of water or shower. Refer for medical attention .

First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.

Rinse mouth. Do NOT induce vomiting. Refer for medical attention .

Accidental Release Measures · 2 件

· CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.

· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area.

First Aid · 2 件

INHALATION: Remove victim to fresh air and call a physician at once; administer oxygen until physician arrives.

General First Aid:

Safe StorageFireproof. Separated from strong oxidants, strong acids and food and feedstuffs.
Exposure Control and Personal Protection· Wear positive pressure self-contained breathing apparatus (SCBA).
Nonfire Spill ResponseExcerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:
Spillage Disposal · 1 件

Personal protection: complete protective clothing including self-contained breathing apparatus. Do NOT let this chemical enter the environment. Collect leaking and spilled liquid in sealable containers as far as possible. Cautiously neutralize remainder. Then wash away with plenty of water.

Isolation and Evacuation · 2 件

Excerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:

Immediate precautionary measure

Eye PreventionWear face shield.
Fire PreventionNO open flames, NO sparks and NO smoking. Above 57 °C use a closed system, ventilation and explosion-proof electrical equipment.
Inhalation RiskNo indication can be given about the rate at which a harmful concentration of this substance in the air is reached on evaporation at 20 °C.

毒性情報

Adverse EffectsDermatotoxin - Skin burns.
Exposure RoutesThe substance can be absorbed into the body by inhalation of its vapour, through the skin and by ingestion.
Signs and Symptoms · 4 件

Sore throat. Cough. Burning sensation. Shortness of breath. Laboured breathing. Symptoms may be delayed.

Pain. Redness. Blisters. Skin burns.

Pain. Redness. Severe deep burns.

Burning sensation. Abdominal pain. Shock or collapse.

ICSC Environmental DataThe substance is harmful to aquatic organisms.
Toxicity DataLCLo (rat) = 1,200 mg/m3/2H

安全データ

F
10-13-23
wgk
2
tsca
TSCA listed
rtecs
DP4500000
ridadr
UN 2619
毒性
LD50 orally in Rabbit: 290 mg/kg LD50 dermal Rat 695 mg/kg
hs_code
29214980
risk_code
10-20/21/22-34-52/53
化審法
(3)-332, (3)-350
消防法
危-4-2-III
hazard_code
C
safety_code
26-36-45-61
hazard_class
8
packing_group
II
自然発火温度
410 °C
Hazard Classifications
Acute Tox. 3 InhalationAcute Tox. 3 OralAcute Tox. 4 DermalAquatic Chronic 2Eye Dam. 1Flam. Liq. 3Skin Corr. 1B
ストレージクラス
3 - Flammable liquids

製造方法25% Aqueous Dimethylamine, 1088 grams Benzyl Chloride, 126.6 grams In the apparatus of Example 1, the benzyl chloride was added dropwise over a two-hour period to the amine (molar ratio 1 to 6) at a rate sufficient to maintain the temperature below 40°C. Stirring was continued at room temperature for an additional hour to insure completion of the reaction denoted by the equation below. Thereafter the reaction mixture was cooled in a separatory funnel while standing in a refrigerator maintained at 5° C. and separated into two layers. The upper oily layer, weighing 111.5g, was removed and steam distilled until no further oleaginous component was observed in the distillate as it came over. The crude distillate was found to contain 103.5g of N,N-dimethylbenzylamine (76.1% of theory), 3.3g of dimethylamine and no quaternary salts. The dimethylamine was distilled off below 29°C under atmospheric pressure from the N,N-dimethylbenzylamine (bp 82°C/18mmHg).

合成方法酢酸パラジウムと反応してアリールパラジウム錯体を生成する

純化方法Dry the amine over KOH pellets and fractionate it over Zn dust in a CO2—free atmosphere. It has a pKa2 5 of 8.25 in 45% aqueous EtOH. Store it under N2 or in a vacuum. The picrate has m 94-95o, and the picrolonate has m 151o (from EtOH). [Skita & Keil Chem Ber 63 34 1930, Coleman J Am Chem Soc 55 3001 1933, Devereux et al. J Chem Soc 2845 1957.] The tetraphenyl borate salt has m 182-185o. [Crane Anal Chem 28 1794 1956, Beilstein 12 IV 2161.]

上流・下流製品情報

上流原料

塩化ベンジルベンジルアミンaminoformic acidジメチルアミンFormamide, N-methyl-N-(phenylmethyl)-BenzeneMethanaMine, 2-chloro-N,N-diMethyl-N,N-ジメチルベンゼンメタンアミンN-オキシドN-メチルベンジルアミンジメチルアミン塩酸塩2-クロロベンズアルデヒドベンゾニトリルN,N-ジメチルベンズアミドベンジルアルコール

下流製品

3,5-ジ-tert-ブチル-4-ヒドロキシベンジルホスホン酸 ジエチルトシル酸ブレチリウムベンジルジメチルドデシルアミニウム·ブロミド[[3,5-ビス(1,1-ジメチルエチル)-4-ヒドロキシフェニル]メチル]ホスホン酸ジオクタデシルベンジルトリメチルアンモニウムブロミドジ-μ-クロロビス[2-[(ジメチルアミノ)メチル]フェニル-C,N]ジパラジウム(II)ジメチルジフルオロシラン1-ヨード-2-(クロロメチル)ベンゼン