CAS 4525-46-6 MFCD00051859-N,N,N-Trimethyl-1-Phenylmethanaminium Iodide 苄基三甲基碘化铵 -LabNovo

N,N,N-Trimethyl-1-Phenylmethanaminium Iodide 苄基三甲基碘化铵

CAS 4525-46-6 MFCD00051859

化学结构图

SMILES: C[N+](C)(C)Cc1ccccc1.[I-]

化学属性

Mol. Formula	C10H16IN
Mol. Weight	277.15
Melting Point	178-179 °C
TSCA	Yes
Appearance	本品为白色结晶。熔点178～179℃，溶于水和醇，有吸湿性。见光或暴露于空气中逐渐变黄。

别名和识别编码

Chemical Name	N,N,N-Trimethyl-1-Phenylmethanaminium Iodide
MDL Number	MFCD00051859
CAS Number	4525-46-6
EC Number	224-861-9
Beilstein Registry Number	3917007
Synonym	N,N,N-Trimethyl-1-phenylmethanaminium iodide {LY} N,N,N-Trimethyl-1-phenylmethanaminium iodide {} {LY} N,N,N-Trimethyl-1-phenylmethanaminium iodide {} {} {LY} N,N,N-Trimethyl-1-phenylmethanaminium iodide {} {} {} {LY} N,N,N-Trimethyl-1-phenylmethanaminium iodide {} {} {} {} {LY} N,N,N-Trimethyl-1-phenylmethanaminium iodide {} {} {} {} {} {LY} N,N,N-Trimethyl-1-phenylmethanaminium iodide {} {} {} {} {} {} {LY} N,N,N-Trimethyl-1-phenylmethanaminium iodide {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {LY} N,N,N-Trimethyl-1-phenylmethanaminium iodide {} {} {} {} {} {} {} {} {LY} N,N,N-Trimethyl-1-phenylmethanaminium iodide {} {} {} {} {} {} {} {} {} {LY} N,N,N-Trimethyl-1-phenylmethanaminium iodide {} {} {} {} {} {} {} {} {} {} {LY} N,N,N-Trimethyl-1-phenylmethanaminium iodide {} {} {} {} {} {} {} {} {} {} {} {LY} N,N,N-Trimethyl-1-phenylmethanaminium iodide {} {} {} {} {} {} {} {} {} {} {} {} {LY} N,N,N-Trimethyl-1-phenylmethanaminium iodide {} {} {} {} {} {} {} {} {}
Chemical Name Translation	苄基三甲基碘化铵
Wiswesser Line Notation	1K1&1&1R &I
LabNetwork Molecule ID	LN00201737
InChIKey	LRRJQNMXIDXNIM-UHFFFAOYSA-M
PubChem Substance ID	20619
InChI	InChI=1S/C10H16N.HI/c1-11(2,3)9-10-7-5-4-6-8-10;/h4-8H,9H2,1-3H3;1H/q+1;/p-1
Canonical SMILES	C[N+](C)(C)CC1=CC=CC=C1.[I-]

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安全信息

RTECSBO8585000

Safety Statements

S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、手套和眼睛/面保护；
S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后，立即用大量水冲洗并征求医生意见；
S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套；

Risk Statements

R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
R20/21/22 Harmful by inhalation, in contact with skin and if swallowed 吸入、皮肤接触和不慎吞咽有害
R22 Harmful if swallowed 吞咽有害

Storage condition RT, protect from light {LY} RT, protect from light {} {LY} RT, protect from light {} {} {LY} RT, protect from light {} {} {} {LY} RT, protect from light {} {} {} {} {LY} RT, protect from light {} {} {} {} {} {LY} RT, protect from light {} {} {} {} {} {} {LY} RT, protect from light {} {} {} {} {} {} {} {LY} RT, protect from light {} {} {} {} {} {} {} {} {LY} RT, protect from light {} {} {} {} {} {} {} {} {} {LY} RT, protect from light {} {} {} {} {} {} {} {} {} {} {LY} RT, protect from light {} {} {} {} {} {} {} {} {} {} {} {LY} RT, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {LY} RT, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} RT, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} RT, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} RT, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} RT, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} RT, protect

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 41 mg/kg
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
   Behavioral - convulsions or effect on seizure threshold
   Lungs, Thorax, or Respiration - respiratory stimulation
REFERENCE :
   UCPHAQ University of California, Berkeley, Publications in Pharmacology.
   (Berkeley, CA)  V.1-3, 1938-57.  Discontinued.  Volume(issue)/page/year:
   2,161,1944

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 5600 ug/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems
   Laboratory, NIOSH Exchange Chemicals.  (Aberdeen Proving Ground, MD 21010)
   Volume(issue)/page/year: NX#00844

其他信息

上游原料:碘甲烷
MOL 文件:4525-46-6.mol
毒性分级:高毒
方法一:将等摩尔的N,N-二甲基苄胺和碘甲烷投入反应釜中，再加入溶剂甲醇，搅拌溶解。缓慢升温至微沸，回流半小时后把料液移入蒸馏釜，蒸出甲醇。剩余重结晶得碘化三甲基苄基铵精品。
方法二:将N,N-二甲基苄胺溶解于甲醇中，加入碘甲烷，加热反应，微沸0.5h蒸出甲醇，得到固体粗制苄基三甲基碘化铵，再用乙醇重结晶得到成品。
Alfa Aesar:苄基三甲基碘化铵,98% Benzyltrimethylammonium iodide, 98%(4525-46-6)
急性毒性:腹腔-小鼠 LD50: 41 毫克/公斤; 静脉-小鼠 LD50: 5.6 毫克/公斤
用途一:本品用于极谱分析。
可燃性危险特性:可燃; 燃烧产生有毒氮氧化物,氨和碘化物烟雾
图谱信息:苄基三甲基碘化铵(4525-46-6)核磁图( 13 CNMR) 苄基三甲基碘化铵(4525-46-6)质谱(MS) 苄基三甲基碘化铵(4525-46-6)核磁图( 1 HNMR) 苄基三甲基碘化铵(4525-46-6)红外图谱(IR1) 苄基三甲基碘化铵(4525-46-6)红外图谱(IR2)
敏感性:Light Sensitive & Hygroscopic
苄基三甲基碘化铵价格(试剂级):更新日期产品编号产品名称包装价格 2010/05/25 B23520 苄基三甲基碘化铵 , 98% Benzyltrimethylammonium iodide, 98% 5g 234元 2010/05/25 B23520 苄基三甲基碘化铵 , 98% Benzyltrimethylammonium iodide, 98% 25g 804元 2010/05/25 B23520 苄基三甲基碘化铵 , 98% Benzyltrimethylammonium iodide, 98% 100g 2730元
储运特性:低温通风低干燥; 与库房食品原料分开存放
灭火剂:干粉,泡沫,沙土,二氧化碳, 雾状水
类别:有毒物品