基本信息
- 标准SMILES
C[N+](C)(C)Cc1ccccc1.[OH-]- InChIKey
NDKBVBUGCNGSJJ-UHFFFAOYSA-M- 分子式
- C10H16N.HO
- 平均分子量
- 167.25 g/mol
- 单同位素质量
- 167.13101416
名称与标识
- 首选名称
- Benzyltrimethylammonium hydroxide
- IUPAC
- benzyl(trimethyl)azanium hydroxide
- 中文名
- 苄基三甲基氢氧化铵
- 英文名
- Benzyltrimethylammonium hydroxide
- 分子式
- C10H17NO
- 分子量
- 167.25
名称与别名
展开更多名称
数据库标识
- CAS
100-85-6- PubChem CID
- 66854
- DTXSID
DTXSID3044332- ChEMBL
CHEMBL3188269- UNII
- 8P4488425W
- EC Number
- 202-895-5
性质
结构计算性质
- 极性表面积
- 1 Ų
- 氢键供体
- 1
- 氢键受体
- 1
- 可旋转键
- 2
- 重原子
- 12
- 形式电荷
- 0
- 复杂度
- 107
实验与物化性质
Physical Description
Liquid
Clear to light yellow liquid with an amine odor; Miscible in water; [MSDSonline]
物理化学性质
- 熔点
- 80 °C · 80 °C
- 沸点
- 65 °C · 65°C
- 密度
- 1.059 g/mL · 1.059 g/mL at 25 °C
- 蒸气压
- 0 Pa · 0Pa at 25℃
- 折射率
- 20 · n20/D 1.43
- 闪点
- 60 °F · 60 °F
- 储存条件
- 30 °C · Store below +30°C.
- 溶解度
- Miscible with alcohols, hydrocarbons, aromatic hydrocarbons and halogenated solvents.
- 形态
- Solution
- 颜色
- Clear slightly yellow
- PH值
- 12 · 12 (20°C in H2O, undiluted)
- 爆炸极限值(explosive limit)
- 5.5 · 5.50-36.50%
- 水溶解性
- Miscible with water, hydrocarbons, aromatic hydrocarbons and halogenated solvents.
- 敏感性
- Air Sensitive
- BRN
- 3917256 · 3917256
- 暴露限值
- 200 ppm; · ACGIH: TWA 200 ppm; STEL 250 ppm (Skin)OSHA: TWA 200 ppm(260 mg/m3)NIOSH: IDLH 6000 ppm; TWA 200 ppm(260 mg/m3); STEL 250 ppm(325 mg/m3)
- InChI
- 1S/C10H16N.H2O/c1-11(2,3)9-10-7-5-4-6-8-10;/h4-8H,9H2,1-3H3;1H2/q+1;/p-1
- InChIKey
- NDKBVBUGCNGSJJ-UHFFFAOYSA-M
- SMILES
- [OH-].C[N+](C)(C)Cc1ccccc1
- LogP
- -3 at · -3 at 20℃
- CAS 数据库
- 100 · 100-85-6(CAS DataBase Reference)
- EPA化学物质信息
- Benzyltrimethylammonium hydroxide (100-85-6)
安全与法规
GHS分类
GHS Classification
This chemical does not meet GHS hazard criteria for 0.3% (1 of 325) of reports.
Danger
H224 (12.6%): Extremely flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 325 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危害信息
Regulatory Information
Chemical: Benzenemethanaminium, N,N,N-trimethyl-, hydroxide
Benzenemethanaminium, N,N,N-trimethyl-, hydroxide (1:1) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzenemethanaminium, N,N,N-trimethyl-, hydroxide (1:1) 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)
Status: Active Update: 15-12-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/29507
Benzyltrimethylammonium hydroxide: Does not have an individual approval but may be used under an appropriate group standard
毒理信息
安全数据
- F
- 9-23
- wgk
- 1
- tsca
- TSCA listed
- 毒性
- LDLo scu-mus: 35 mg/kg JPETAB 28,367,26
- RTECS号
- BO8575000
- 包装类别
- II
- 危险等级
- 8
- 存储类别
- 8A - Combustible corrosive hazardous materials
- 安全说明
- 26-36/37/39-45-46-16-28A-7
- 海关编码
- 29239000
- 自燃温度
- 455°C
- 危险品标志
- C,T,F
- 危险性类别
- Eye Dam. 1Skin Corr. 1A
- 危险类别码
- 34-39/23/24/25-23/24/25-11
- 危险品运输编号
- UN 3267 8/PG 2
毒性防护
急性毒性皮下-小鼠 LDL0: 35 毫克/公斤
包装储运
爆炸物危险特性强碱; 对皮肤, 眼睛和黏膜有腐蚀作用
可燃性危险特性可燃; 燃烧产生有毒氮氧化物和氨烟雾
储运特性库房通风低温干燥; 与酸分开存放
灭火剂干粉,泡沫,沙土,二氧化碳, 雾状水
化学与工业
药理信息
MeSH Pharmacological Classification
Substances that prevent infectious agents or organisms from spreading or kill infectious agents in order to prevent the spread of infection.
Agents that modify interfacial tension of water; usually substances that have one lipophilic and one hydrophilic group in the molecule; includes soaps, detergents, emulsifiers, dispersing and wetting agents, and several groups of antiseptics.
用途与制造
General Manufacturing Information
Wholesale and Retail Trade
Benzenemethanaminium, N,N,N-trimethyl-, hydroxide (1:1): ACTIVE
上下游产品信息
下游产品
试剂价格
- A14927 · 500ml
- 苄基三甲基氢氧化铵, 40% w/w soln. in methanol Benzyltrimethylammonium hydroxide, 40% w/w in methanol — 800元
- 047189 · 500ml
- 苄基三甲基氢氧化铵水溶液Benzyltrimethylammonium hydroxide, 40% w/w aq. soln. — 1724元
供应商50 家
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