2-クロロ-6-メトキシトルエン

3-Chloro-2-methylanisole

HCID 76749CAS 3260-88-6

部分構造検索類似構造を探す

基本情報

標準SMILES: COc1cccc(Cl)c1C
InChIKey: LTVRGAWOEOKGJZ-UHFFFAOYSA-N
分子式: C8H9ClO
平均分子量: 156.61 g/mol
単同位体質量: 156.03419259

名称と識別子

優先名称: 3-Chloro-2-methylanisole
IUPAC: 1-chloro-3-methoxy-2-methylbenzene
現地名: 2-クロロ-6-メトキシトルエン
英語名: 3-chloro-2-methoxyanisole
分子式: C8H9ClO
分子量: 156.61

名称と別名

3260-88-63-Chloro-2-methylanisole1-chloro-3-methoxy-2-methylbenzene2-Chloro-6-methoxytolueneBENZENE, 1-CHLORO-3-METHOXY-2-METHYL-2-METHOXY-6-CHLOROTOLUENEB25BTP9CQMEINECS 221-862-6DTXSID10745996-chloro-2-methoxytolueneANISOLE, 3-CHLORO-2-METHYL-LTVRGAWOEOKGJZ-UHFFFAOYSA-

名称をさらに表示

2-クロロ-6-メトキシトルエン1-クロロ-3-メトキシ-2-メチルベンゼン3-クロロ-2-メチルアニソール2-メチル-3-クロロアニソール3-chloro-2-methoxyanisole3-chloro-2-methylanisole,98%2-Chloro-6-methoxytoluene >1-Chloro-3-methoxy-2-methylbenzene3-chloro-2-methylbenzenemethylether

RefChem:499800DTXCID0038544221-862-6InChI=1/C8H9ClO/c1-6-7(9)4-3-5-8(6)10-2/h3-5H,1-2H32-Methyl-3-chloroanisoleMFCD00070772SY049178C13337

データベース識別子

CAS: 3260-88-6
PubChem CID: 76749
DTXSID: DTXSID1074599
UNII: B25BTP9CQM
EC Number: 221-862-6
Nikkaji: J262.360I

物性

構造計算による物性

XLogP: 3.5
極性表面積: 9.2 Å²
水素結合供与体数: 0
水素結合受容体数: 1
回転可能結合数: 1
重原子数: 10
形式電荷: 0
複雑度: 105

物理化学的性質

融点: -3 °C · -3°C
沸点: 213 · 213-217 °C (lit.)
比重(密度): 1.16 g/mL · 1.16 g/mL at 25 °C (lit.)
屈折率: 20 · n20/D 1.42(lit.)
闪点: 140 °F · 140 °F
貯蔵温度: Sealed in dry,Room Temperature
外見: clear liquid
色: Colorless to Almost colorless
BRN: 1862220 · 1862220
InChI: 1S/C8H9ClO/c1-6-7(9)4-3-5-8(6)10-2/h3-5H,1-2H3
InChIKey: LTVRGAWOEOKGJZ-UHFFFAOYSA-N
SMILES: COc1cccc(Cl)c1C
CAS データベース: 3260 · 3260-88-6(CAS DataBase Reference)
EPAの化学物質情報: 1 · Benzene, 1-chloro-3-methoxy-2-methyl- (3260-88-6)

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 63 reports by companies from 3 notifications to the ECHA C&L Inventory.

危険有害性情報

Regulatory Information · 2 件

Benzene, 1-chloro-3-methoxy-2-methyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzene, 1-chloro-3-methoxy-2-methyl- 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)

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

安全データ

wgk: 3
tsca: TSCA listed
ridadr: UN 1993 3/PG 3
hs_code: 2909.50.5000
消防法: 危-4-3-III
hazard_code: Xi
hazard_class: 3
packing_group: III
Hazard Classifications: Flam. Liq. 3
ストレージクラス: 3 - Flammable liquids

化学と産業

用途と製造

U.S. Production2021: 105,822 lb

General Manufacturing InformationBenzene, 1-chloro-3-methoxy-2-methyl-: ACTIVE

応用分野

使用Arene-manganese tricarbonyl complexes are prepared using 3-Chloro-2-methylanisole.

一般的な説明3-Chloro-2-methylanisole can be prepared via trifluoroacetic (TFA) anhydride reaction. Enthalpy of vaporization of 3-chloro-2-methylanisole at boiling point (488.15K) is 42.747kjoule/mol.