699-04-7 (N,4-二甲基苄胺,N-Methyl-4-methylbenzylamine)

快速询单

结构式：

N,4-二甲基苄胺MOL文件

CAS号：

699-04-7

中文名称：

N,4-二甲基苄胺

英文名称：

N-Methyl-4-methylbenzylamine

分子式：

C₉H₁₃N

分子量：

135.206222295761

N,4-二甲基苄胺(699-04-7)名称与标识符

名称

中文别名：

N,4-二甲基苄胺;N-甲基-N-(4-甲基苄基)胺;N-甲基-4-甲基苄胺;4-甲基-N-甲基苯甲胺;N-异丙基甲胺;

英文别名：

N-Methyl-4-methylbenzylamine;CHEMBRDG-BB 4004536;N-Methyl-1-(p-tolyl)methanamine;4-Methyl-N-methylbenzylamine;C9H13N;N-methyl-1-(4-methylphenyl)methanamine;N-methyl-N-(4-methylbenzyl)amine;methyl[(4-methylphenyl)methyl]amine;Methyl(4-methylbenzyl)amine;Benzenemethanamine, N,4-dimethyl-;PubChem10497;4,N-dimethylbenzylamine;P-methylbenzyl-methylamine;methyl-4-methylbenzylamine;KSC358S3N;n-methyl-1-p-tolylmethanamine;4-[(Methylamino)methyl]toluene;methyl-(4-methyl benzyl)-amine;SCHEMBL296509;FT-0694845;AM20061047;PS-3909;N-Methyl-N-(4-methylbenzyl)amine, AldrichCPR;CS-W003184;?4-Methyl-N-methylbenzylamine;EN300-07233;Z56944115;YDFFIGRIWDSNOZ-UHFFFAOYSA-N;SY004191;699-04-7;MFCD04115412;J-523702;DTXSID60383285;AKOS000264095;ALBB-027040;STK832104;

标识符

MDL：

MFCD04115412

InChIKey：

YDFFIGRIWDSNOZ-UHFFFAOYSA-N

Inchi：

1S/C9H13N/c1-8-3-5-9(6-4-8)7-10-2/h3-6,10H,7H2,1-2H3

SMILES：

N(C)CC1C=CC(C)=CC=1

N,4-二甲基苄胺(699-04-7)物化性质

实验特性

LogP : 2.10530
PSA : 12.03000
沸点 : 70 ºC (1 mmHg)
熔点 : 70°C
闪点 : 76.6℃
密度 : 0.917

计算特性

精确分子量 : 135.10500
氢键供体数量 : 1
氢键受体数量 : 1
可旋转化学键数量 : 2
同位素质量 : 135.105
重原子数量 : 10
复杂度 : 82.7
同位素原子数量 : 0
确定原子立构中心数量 : 0
不确定原子立构中心数量 : 0
确定化学键立构中心数量 : 0
不确定化学键立构中心数量 : 0
共价键单元数量 : 1
疏水参数计算参考值（XlogP） : 1.8
拓扑分子极性表面积 : 12

N,4-二甲基苄胺(699-04-7)安全信息

N,4-二甲基苄胺(699-04-7)海关数据

海关编码：

2921499090

海关数据：

中国海关编码：

2921499090

概述：

2921499090 其他芳香单胺及衍生物及它们的盐. 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

Summary：

2921499090 other aromatic monoamines and their derivatives; salts thereof VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

N,4-二甲基苄胺(699-04-7)推荐厂家更多厂家(24)

公司名称	手机号/电话	联系人	QQ	询单
上海楷森生物科技有限公司	17558870519 175-58870519	赵经理	3003926540	询单
江苏永健医药科技有限公司	17701422016	韩经理	3587493084	询单
上海源叶生物科技有限公司	15026964105 15026964105	汤思磊	2881489226	询单
上海瀚思化工有限公司	18939883912 021-34536277	顾经理	3003949364	询单
上海绩祥生物科技有限公司	13093077543	陆经理	3985448220	询单
上海一基实业有限公司	13311756052 021-60526763 13311756052 13311756131	胡经理	2355265332	询单
上海一基实业有限公司	13311756131 021-60548336 QQ：2355265332 QQ:2851717387	胡经理	2355265332	询单
铼博（上海）生化科技有限公司	13311756052 021-60536361 13311756052 13311756131	张经理	2851717387	询单
南通众合化工新材料有限公司	18762756250 0513-55074056	胡经理	2369399482	询单
上海腾准生物科技有限公司	19821570922 021-34053661	张经理	3003871136	询单

N,4-二甲基苄胺(699-04-7)合成路线

合成路线：1 步

20241-03-6

_47%

699-04-7

874-33-9

反应条件：

1.1 Reagents: Butyllithium Solvents: Tetrahydrofuran , Hexane ; 1 h, 0 °C
1.2 Reagents: Water

参考文献：

Formation of benzylamines from triazene compounds via a 1,2-proton shift

Nishiwaki, Keiji; et al, Tetrahedron, 2006, 62(29), 7034-7042

合成路线：1 步

20241-03-6

_47%

699-04-7

874-33-9

反应条件：

1.1 Reagents: Butyllithium Solvents: Tetrahydrofuran
1.2 Reagents: Water

参考文献：

α-Lithiation of 1-aryl-3,3-dialkyltriazenes and intramolecular conversion to benzylamine and tetrahydrobenzotriazine derivatives

Nishiwaki, Keiji; et al, Angewandte Chemie, 2002, 41(3), 484-486

N,4-二甲基苄胺(699-04-7)相关文献

1. Synthesis and characterization of rare earth/lithium complexes stabilized by ethylenediamine-bridged bis(phenolate) ligands and their activity in catalyzing amidation reactions
Nadia Ismaeel,Zhixing Zhuo,Sajid Imran,Dan Yuan,Yingming Yao Dalton Trans. 2022 51 13892

N,4-二甲基苄胺(699-04-7) MSDS

基础信息

Name:	N-Methyl-N-(4-methylbenzyl)amine Material Safety Data Sheet
Synonym:	None Known
CAS:	699-04-7

Section 1 - Chemical Product ? MSDS Name:N-Methyl-N-(4-methylbenzyl)amine Material Safety Data Sheet
Synonym:None Known

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
699-04-7	N-Methyl-N-(4-methylbenzyl)amine	90+	unlisted

Hazard Symbols: C
Risk Phrases: 34

Section 3 - HAZARDS IDENTIFICATION
? EMERGENCY OVERVIEW
Causes burns.
Potential Health Effects
Eye:
Causes eye burns.
Skin:
Causes skin burns.
Ingestion:
Causes gastrointestinal tract burns.
Inhalation:
Causes chemical burns to the respiratory tract.
Chronic:
Chronic exposure may cause effects similar to those of acute exposure.

Section 4 - FIRST AID MEASURES
? Eyes: In case of contact, immediately flush eyes with plenty of water for at least 15 minutes. Get medical aid immediately.
Skin:
In case of contact, immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Get medical aid immediately. Wash clothing before reuse.
Ingestion:
If swallowed, do NOT induce vomiting. Get medical aid immediately.
If victim is fully conscious, give a cupful of water. Never give anything by mouth to an unconscious person.
Inhalation:
Get medical aid immediately. Remove from exposure and move to fresh air immediately. If breathing is difficult, give oxygen. Do NOT use mouth-to-mouth resuscitation.
Notes to Physician:
Treat symptomatically and supportively.

Section 5 - FIRE FIGHTING MEASURES
? General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or appropriate foam.

Section 6 - ACCIDENTAL RELEASE MEASURES
? General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container. Avoid runoff into storm sewers and ditches which lead to waterways. Clean up spills immediately, observing precautions in the Protective Equipment section. Provide ventilation.

Section 7 - HANDLING and STORAGE
? Handling:
Wash thoroughly after handling. Do not breathe dust, vapor, mist, or gas. Do not get in eyes, on skin, or on clothing. Keep container tightly closed. Do not ingest or inhale. Discard contaminated shoes.
Use only with adequate ventilation.
Storage:
Store in a tightly closed container. Corrosives area. Store under an inert atmosphere.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
? Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 699-04-7: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
?
Physical State: Liquid
Color: colorless
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 70 deg C @ 1mmHg
Freezing/Melting Point: Not available.
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C9H14ClN
Molecular Weight: 171.67

Section 10 - STABILITY AND REACTIVITY
? Chemical Stability:
Stable at room temperature in closed containers under normal storage and handling conditions.
Conditions to Avoid:
None reported.
Incompatibilities with Other Materials:
Oxidizing agents, acids, acid chlorides.
Hazardous Decomposition Products:
Hydrogen chloride, carbon monoxide, oxides of nitrogen, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 699-04-7 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
N-Methyl-N-(4-methylbenzyl)amine - Not listed by ACGIH, IARC, or NTP.

Section 12 - ECOLOGICAL INFORMATION
? Ecotoxicity:
Fish: Pseudomonas putida:

Section 13 - DISPOSAL CONSIDERATIONS
? Dispose of in a manner consistent with federal, state, and local regulations.

Section 14 - TRANSPORT INFORMATION
?
IATA
Shipping Name: AMINES, LIQUID, CORROSIVE, N.O.S.
Hazard Class: 8
UN Number: 2735
Packing Group: III
IMO
Shipping Name: AMINES, LIQUID, CORROSIVE, N.O.S.
Hazard Class: 8
UN Number: 2735
Packing Group: III
RID/ADR
Shipping Name: AMINES, LIQUID, CORROSIVE, N.O.S.
Hazard Class: 8
UN Number: 2735
Packing group: III

Section 15 - REGULATORY INFORMATION
?
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: C
Risk Phrases:
R 34 Causes burns.
Safety Phrases:
S 6 Keep under nitrogen.
S 23 Do not inhale gas/fumes/vapour/spray.
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 36/37/39 Wear suitable protective clothing, gloves
and eye/face protection.
WGK (Water Danger/Protection)
CAS# 699-04-7: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 699-04-7 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 699-04-7 is not listed on the TSCA inventory.
It is for research and development use only.

SECTION 16 - ADDITIONAL INFORMATION
N/A