2-Chloro-6-methylaniline (HCID 6897)

名称と識別子

優先名称: 2-Chloro-6-methylaniline
IUPAC: 2-chloro-6-methylaniline
現地名: 2-アミノ-3-クロロトルエン
英語名: 2-Chloro-6-methylaniline
分子式: C7H8ClN
分子量: 141.6

名称と別名

2-Chloro-6-methylaniline6-Chloro-o-toluidine2-Amino-3-chlorotoluene6-CHLORO-2-METHYLANILINEBenzenamine, 2-chloro-6-methyl-2-Methyl-6-chloroaniline3-Chloro-2-aminotoluene6-Chloro-2-toluidine2-CHLORO-6-METHYL-ANILINEo-Toluidine, 6-chloro-6-Chloro-o-toluidine (NH2=1)EINECS 201-759-2

名称をさらに表示

2-アミノ-3-クロロトルエン6-クロロ-2-メチルアニリン6-クロロ-o-トルイジン2-クロロ-6-メチルアニリン2-メチル-6-クロロアニリン2クロロ6メチルアニリン２－クロロー６－メチルアニリン2‐クロロ‐6‐メチルアニリン6COToro-6-methyLTIMTEC-BB SBB0041536-chloro-o-toluidin2-Chloro-6-methylani6-ChIoro-o-toluidine

UNII-76F11RQ7TBNSC 60121BRN 0774624Benzenamine, 6-chloro-2-methyl-NSC-601212-chloro-6-methylbenzenamine(2-Chloro-6-methylphenyl)amineDTXSID8058956

データベース識別子

CAS: 87-63-8
PubChem CID: 6897
DTXSID: DTXSID8058956
UNII: 76F11RQ7TB
EC Number: 201-759-2
Nikkaji: J3.539D

物性

構造計算による物性

XLogP: 2.2
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: 0
重原子数: 9
形式電荷: 0
複雑度: 94.9

実験および物理化学的性質

SpringerMaterials PropertiesOptical coefficient

物理化学的性質

融点: 10 · 10-12 °C(lit.)
沸点: 215 °C · 215 °C(lit.)
比重(密度): 1.152 g/mL · 1.152 g/mL at 25 °C(lit.)
屈折率: 20 · n20/D 1.576(lit.)
闪点: 210 °F · 210 °F
貯蔵温度: Keep in dark place,Sealed in dry,Room Temperature
溶解性: クロロホルム（微量）、酢酸エチル（微量）
外見: 油
酸解離定数(Pka): 2.51 · 2.51±0.10(Predicted)
色: 無色透明～薄紫色
水溶解度: 混和しない
BRN: 774624 · 774624
InChIKey: WFNLHDJJZSJARK-UHFFFAOYSA-N
CAS データベース: 87 · 87-63-8(CAS DataBase Reference)
NISTの化学物質情報: 2 · Benzenamine, 2-chloro-6-methyl-(87-63-8)
EPAの化学物質情報: 6 · 6-Chloro-2-methylaniline (87-63-8)

化学的性質

化学的特性clear yellow to red-brown liquid

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H301 (16%): Toxic if swallowed [Danger Acute toxicity, oral]

P203, P260, P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P317, P318, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 50 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 2 件

S - indicates a substance that is identified in a final Significant New Use Rule.

Status: Active Update: 09-11-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/21012

Hazard Classes and CategoriesAcute Tox. 3 (16%)

安全データ

wgk: 3
tsca: TSCA listed
rtecs: XU5100000
ridadr: UN 3429 6.1/PG 3
hs_code: 29214300
risk_code: 36/37/38-20/21/22
化審法: (9)-73, (3)-265
消防法: 危-4-3-III
hazard_code: Xi,Xn
safety_code: 26-36-36/37/39
hazard_class: 6.1
packing_group: III

化学と産業

用途と製造

General Manufacturing InformationBenzenamine, 2-chloro-6-methyl-: ACTIVE

応用分野 · 2 件

説明2-chloro-6-methylaniline is an important organic synthesis intermediate widely applied to chemical pharmacy, pesticides, and organic synthesis. In the aspects of chemical pharmacy and pesticides, 2-chloro-6-methylaniline can be used as a reaction starting material to participate in the preparation processes of tyrosine kinase inhibitors dasatinib, indazole derivatives with anti-breast cancer activity, 2-methyl-6-chlorophenyl sulfonylurea derivatives with bacteriostatic activity and the like; in the aspect of organic synthesis, 2-chloro-6-methylaniline can introduce chemical groups such as hydrazine, nitro, cyano, halogen (F, Cl, Br), and the like into an aromatic ring through diazotization reaction, thereby participating in wide chemical reactions.

使用2-Chloro-6-methylaniline is a substituted aniline used in the preparation of various pharmaceutical compounds. 2-Chloro-6-methylaniline showed inhibition of the polymerization of vinyl acetate.