3-甲基苄胺 (HCID 66015)

名称与标识

首选名称: 3-Methylbenzylamine
IUPAC: (3-methylphenyl)methanamine
中文名: 3-甲基苄胺
英文名: 3-Methylbenzylamine
分子式: C8H11N
分子量: 121.18

名称与别名

3-Methylbenzylaminem-MethylbenzylamineBenzenemethanamine, 3-methyl-1-(3-methylphenyl)methanamineBenzylamine, m-methyl-EINECS 202-890-8DTXSID3059218RefChem:94839Benzenemethanamine, 3methylDTXCID4032459UN2735202-890-8

展开更多名称

间甲苄胺间甲基苄胺3-甲苄基胺3-甲基苄胺(3-甲苄基)胺苄胺,间-甲基-苯甲胺,3-甲基-(3-甲基苯基)甲胺3-甲基苯甲胺,98%1-(3-甲基苯基)甲胺3-Xylylamineα-Amino-m-xyleneRARECHEM AL BW 01643-Methyl-BenzylaminALPHA-AMINO-M-XYLENE(m-Tolylmethyl)amine

InChI=1/C8H11N/c1-7-3-2-4-8(5-7)6-9/h2-5H,6,9H2,1HRGXUCUWVGKLACF-UHFFFAOYSA-N100-81-2m-Tolylmethanamine(3-Methylphenyl)methanaminem-Xylylamine3-Methylbenzyl amine3-Methylbenzenemethanamine

数据库标识

CAS: 100-81-2
PubChem CID: 66015
DTXSID: DTXSID3059218
ChEMBL: CHEMBL274573
UNII: JRQ2PCL7ZU
EC Number: 202-890-8
Nikkaji: J134.733K

性质

结构计算性质

XLogP: 1.3
极性表面积: 26 Å²
氢键供体: 1
氢键受体: 1
可旋转键: 1
重原子: 9
形式电荷: 0
复杂度: 80.6

实验与物化性质

Chemical ClassesNitrogen Compounds -> Amines, Aromatic

Physical DescriptionColorless liquid; [Alfa Aesar MSDS]

物理化学性质

熔点: 19.71 °C · 19.71°C (estimate)
沸点: 202 · 202-205 °C(lit.)
密度: 0.966 g/mL · 0.966 g/mL at 25 °C(lit.)
折射率: 20 · n20/D 1.536(lit.)
闪点: 177 °F · 177 °F
储存条件: Keep in dark place,Sealed in dry,Room Temperature
酸度系数(pKa): 9.13 · 9.13±0.10(Predicted)
形态: Liquid
颜色: Clear colorless to light yellow
敏感性: Air Sensitive
BRN: 507474 · 507474
InChI: 1S/C8H11N/c1-7-3-2-4-8(5-7)6-9/h2-5H,6,9H2,1H3
InChIKey: RGXUCUWVGKLACF-UHFFFAOYSA-N
SMILES: Cc1cccc(CN)c1
CAS 数据库: 100 · 100-81-2(CAS DataBase Reference)
NIST化学物质信息: 3 · Benzenemethanamine, 3-methyl-(100-81-2)
EPA化学物质信息: 3 · Benzenemethanamine, 3-methyl- (100-81-2)

安全与法规

GHS分类

GHS Classification · 4 条

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 49 reports by companies from 4 notifications to the ECHA C&L Inventory.

危害信息

Hazards SummaryCauses burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; [Alfa Aesar MSDS] See Benzylamine and alpha-Methylbenzylamine.

Hazard Classes and CategoriesSkin Corr. 1B (100%)

毒理信息

Adverse EffectsDermatotoxin - Skin burns.

安全数据

wgk: 3
tsca: TSCA listed
hazard_note: Irritant
包装类别: III
危险等级: 8
存储类别: 8A - Combustible corrosive hazardous materials
安全说明: 26-27-36/37/39-45
海关编码: 29214200
危险品标志: C,Xi
危险性类别: Skin Corr. 1B
危险类别码: 34
危险品运输编号: UN 2735 8/PG 3

化学与工业

用途与制造

General Manufacturing InformationBenzenemethanamine, 3-methyl-: ACTIVE

上下游产品信息

上游原料

间甲基苯腈二甲氨基硼氢化锂溶液乙醚氢化铝锂

下游产品

3-甲基苄基异氰酸酯 3-甲基异硫氰酸苄酯 2-氯-N-[(3-甲基苯基)甲基]乙酰胺

试剂价格

L04922 · 5g: 3-甲基苄胺, 98%3-Methylbenzylamine, 98% — 667元
15548 · 1g: 3-甲基苄胺3-Methylbenzylamine, 98%, Thermo Scientific Chemicals — 295元

供应商50 家

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]

湖北万得化工有限公司15377098680 15377098680 · [email protected]

合肥曼奇诺生物医药技术有限公司19719236623 · [email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

关联笔记

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3-甲基苄胺

基本信息