3-Methylbenzylamine (HCID 66015)

名称と識別子

優先名称: 3-Methylbenzylamine
IUPAC: (3-methylphenyl)methanamine
現地名: 3-メチルベンジルアミン
英語名: 3-Methylbenzylamine
分子式: C8H11N
分子量: 121.18

名称と別名

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

名称をさらに表示

3-メチルベンジルアミンα-アミノ-m-キシレン3-メチルベンゼンメタンアミンm-キシリルアミン1-アミノメチル-3-メチルベンゼンm-メチルベンジルアミン(3-メチルベンジル)アミン(m-トリルメチル)アミン3‐メチルベンジルアミン1-(3-メチルフェニル)メタンアミン3-メチルベンジルアミン, 98%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

データベース識別子

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

物性

構造計算による物性

XLogP: 1.3
極性表面積: 26 Å²
水素結合供与体数: 1
水素結合受容体数: 1
回転可能結合数: 1
重原子数: 9
形式電荷: 0
複雑度: 80.6

実験および物理化学的性質

Chemical ClassesNitrogen Compounds -> Amines, Aromatic

Physical DescriptionColorless liquid; [Alfa Aesar MSDS]

物理化学的性質

融点: 19.71 °C · 19.71°C (estimate)
沸点: 202 · 202-205 °C(lit.)
比重(密度): 0.966 g/mL · 0.966 g/mL at 25 °C(lit.)
屈折率: 20 · n20/D 1.536(lit.)
闪点: 177 °F · 177 °F
貯蔵温度: Keep in dark place,Sealed in dry,Room Temperature
酸解離定数(Pka): 9.13 · 9.13±0.10(Predicted)
外見: 液体
色: 無色透明～薄黄色
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 データベース: 100 · 100-81-2(CAS DataBase Reference)
NISTの化学物質情報: 3 · Benzenemethanamine, 3-methyl-(100-81-2)
EPAの化学物質情報: 3 · Benzenemethanamine, 3-methyl- (100-81-2)

化学的性質

化学的特性Colorless to light yellow liqui

安全と法規制

GHS分類

GHS Classification · 4 件

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.

危険有害性情報

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%)

毒性情報

Adverse EffectsDermatotoxin - Skin burns.

安全データ

wgk: 3
tsca: TSCA listed
ridadr: UN 2735 8/PG 3
hs_code: 29214200
risk_code: 34
化審法: (3)-4081
消防法: 危-4-3-III
hazard_code: C,Xi
hazard_note: Irritant
safety_code: 26-27-36/37/39-45
hazard_class: 8
packing_group: III
Hazard Classifications: Skin Corr. 1B
ストレージクラス: 8A - Combustible corrosive hazardous materials

化学と産業

用途と製造

General Manufacturing InformationBenzenemethanamine, 3-methyl-: ACTIVE

応用分野 · 1 件

使用3-Methylbenzylamine ({(3-chlorophenyl)methanamine}) has been used as a templating agent in the synthesis of amine-templated materials containing two-dimensional lithium beryllofluoride sheets of the stoichiometry [LiBeF(4)](-). It has also been used to study the chromatographic behavior of a series of substituted aniline and pyridine basic compounds on C18 bonded silica.