2,4-ジメチルベンジルクロリド

2,4-Dimethylbenzyl chloride

HCID 69989CAS 824-55-5

部分構造検索類似構造を探す

基本情報

標準SMILES: Cc1ccc(CCl)c(C)c1
InChIKey: BETNPSBTDMBHCZ-UHFFFAOYSA-N
分子式: C9H11Cl
平均分子量: 154.63 g/mol
単同位体質量: 154.05492803

名称と識別子

優先名称: 2,4-Dimethylbenzyl chloride
IUPAC: 1-(chloromethyl)-2,4-dimethylbenzene
現地名: 2,4-ジメチルベンジルクロリド
英語名: 2,4-Dimethylbenzyl chloride
分子式: C9H11Cl
分子量: 154.64

名称と別名

2,4-Dimethylbenzyl chloride824-55-5Benzene, 1-(chloromethyl)-2,4-dimethyl-NSC 574EINECS 212-531-7NSC 405479AI3-15519DTXSID90611781,3-Dimethyl-4-(chloromethyl)benzeneRefChem:82530DTXCID7048295BETNPSBTDMBHCZ-UHFFFAOYSA-N

名称をさらに表示

2,4-ジメチルベンジルクロリド1-(クロロメチル)-2,4-ジメチルベンゼン1-クロロメチル-2,4-ジメチルベンゼン塩化2,4-ジメチルベンジルTIMTEC-BB SBB005790(contains 2,6-isoMer)2,4-Dimethylbenzyl chloride,99%2,4-DiMethylbenzyl Chloride 2,4-Dimethylbenzyl Chloride, Gc2,4-Dimethylbenzyl chloride, GC 97%

1-(Chloromethyl)-2,4-dimethylbenzene4-(Chloromethyl)-m-xyleneMFCD000155562,4-Dimethyl-1-(chloromethyl)benzene1-(Chloromethyl)-2,4-DiMethyl-Benzene24-Dimethylbenzyl Chloride1-Chloromethyl-2,4-dimethylbenzene1-chloromethyl-2,4-dimethyl-benzene

データベース識別子

CAS: 824-55-5
PubChem CID: 69989
DTXSID: DTXSID9061178
EC Number: 212-531-7
Nikkaji: J31.728D

物性

構造計算による物性

XLogP: 3
極性表面積: 0 Å²
水素結合供与体数: 0
水素結合受容体数: 0
回転可能結合数: 1
重原子数: 10
形式電荷: 0
複雑度: 101

物理化学的性質

融点: -43.35 °C · -43.35°C (estimate)
沸点: 103 °C · 103 °C (15 mmHg)
比重(密度): 1.06 · 1.06
屈折率: 1.5375 · 1.5375-1.5395
闪点: 96 °C · 96°C
外見: clear liquid
色: Colorless to Almost colorless
BRN: 742366 · 742366
CAS データベース: 824 · 824-55-5(CAS DataBase Reference)
EPAの化学物質情報: 1 · Benzene, 1-(chloromethyl)-2,4-dimethyl- (824-55-5)

化学的性質

化学的特性clear colorless to slightly yellow liquid

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H226 (82.6%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P332+P317, P337+P317, P362+P364, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.