2,4-ジフルオロアニソール

2,4-Difluoroanisole

HCID 136293CAS 452-10-8

部分構造検索類似構造を探す

基本情報

標準SMILES: COc1ccc(F)cc1F
InChIKey: CRMJLJFDPNJIQA-UHFFFAOYSA-N
分子式: C7H6F2O
平均分子量: 144.12 g/mol
単同位体質量: 144.03867113

名称と識別子

優先名称: 2,4-Difluoroanisole
IUPAC: 2,4-difluoro-1-methoxybenzene
現地名: 2,4-ジフルオロアニソール
英語名: 2,4-Difluoroanisole
分子式: C7H6F2O
分子量: 144.12

名称と別名

2,4-Difluoroanisole2,4-Difluoro-1-methoxybenzene452-10-8DTXSID60196418RefChem:443572DTXCID70118909610-230-9252-10-8MFCD00010731Benzene, 2,4-difluoro-1-methoxy-SCHEMBL1972041,3-Difluoro-4-methoxybenzene

名称をさらに表示

2,4-ジフルオロアニソール1-メトキシ-2,4-ジフルオロベンゼン2，4ジフルオロアニソ-ル2,4-ジフルオロ-1-メトキシベンゼン２，４ジフルオロアニソル2,4-Difluoroanisole>2,4-Difluoroanisole,99%2,4-Difluoroanisole 98%3,4-diflurobenzaldehyde2,4-Difluoroanisole,98%2,4-DIFLUOROMETHOXY BENZENE1-Methoxy-2,4-difluorobenzene

SCHEMBL1068238SCHEMBL1205136SCHEMBL1547178SCHEMBL2351921SCHEMBL293660532,4-Difluoro-1-methoxybenzene #SBB086326AKOS005255195

データベース識別子

CAS: 452-10-8
PubChem CID: 136293
DTXSID: DTXSID60196418
EC Number: 610-230-9
Nikkaji: J208.425B

物性

構造計算による物性

XLogP: 2.2
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: 3
回転可能結合数: 1
重原子数: 10
形式電荷: 0
複雑度: 108

物理化学的性質

沸点: 53 °C · 53 °C (18 mmHg)
比重(密度): 1.23 · 1.23
屈折率: 1.471 · 1.471-1.473
闪点: 51 °C · 51 °C
貯蔵温度: Sealed in dry,Room Temperature
外見: clear liquid
色: Colorless to Light yellow
比重: 1.246 · 1.246
水溶解度: 不溶性
BRN: 2518264 · 2518264
CAS データベース: 452 · 452-10-8(CAS DataBase Reference)
NISTの化学物質情報: 2 · 2,4-Difluoroanisole(452-10-8)

化学的性質

化学的特性CLEAR COLOURLESS TO LIGHT YELLOW LIQUID

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (71.4%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 7 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

危険有害性情報

Hazard Classes and CategoriesFlam. Liq. 3 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (71.4%)

安全データ

ridadr: 1993
hs_code: 29093090
risk_code: 36/37/38-10
化審法: (3)-4291
消防法: 危-4-2-III
hazard_code: Xi,F,Xn
hazard_note: Flammable
safety_code: 7/9-16-37-26
hazard_class: 3
packing_group: III

化学と産業

応用分野

用途有機合成原料。

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