CAS 1467-05-6 4-Ethylbenzyl chloride (HCID 73843)

基本情報

CAS: 1467-05-6
標準SMILES: CCc1ccc(CCl)cc1
InChIKey: DUBCVXSYZVTCOC-UHFFFAOYSA-N
分子式: C9H11Cl
平均分子量: 154.63 g/mol
単同位体質量: 154.054928

名称と識別子

優先名称: 4-Ethylbenzyl chloride
IUPAC: 1-(chloromethyl)-4-ethylbenzene
現地名: 4-エチルベンジルクロリド
英語名: 4-ETHYLBENZYL CHLORIDE
分子式: C9H11Cl
分子量: 154.64

名称と別名

4-Ethylbenzyl chloride1467-05-6Benzene, 1-(chloromethyl)-4-ethyl-p-Ethylbenzylchloridep-ethylbenzyl chloride4-(chloromethyl)-1-ethylbenzeneAI3-20885DTXSID8061711Benzene, 1-chloromethyl-4-ethyl-RefChem:98897DTXCID5034775DUBCVXSYZVTCOC-UHFFFAOYSA-N

名称をさらに表示

4-エチルベンジルクロリドp-エチルベンジルクロリド1-(クロロメチル)-4-エチルベンゼン4-エチルベンジルクロリド (約30%2-体含む)塩化4-エチルベンジル4-エチル-1-(クロロメチル)ベンゼンEthyxlbenzylchloride4-EthylbenzylChloride>p-Chloromethylethylbenzenealpha-chloro-4-ethyltoluene1-(chloromethyl)-4-ethyl-benzen4-ETHYLBENZYL CHLORIDE 1467-05-6

1-(Chloromethyl)-4-ethylbenzeneMFCD000393571-Chloromethyl-4-ethyl-benzene1-(chloromethyl)-4-ethyl-benzene4-Ethylbenzyl chloride (stabilised with calcium carbonate)4-ETHYLBENZYLCHLORIDEethyl benzyl chlorideSCHEMBL52437

データベース識別子

CAS: 1467-05-6
PubChem CID: 73843
DTXSID: DTXSID8061711
EC Number: 674-214-3
Nikkaji: J256.540D

物性

構造計算による物性

XLogP: 3.1
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: 2
重原子数: 10
形式電荷: 0
複雑度: 82

実験および物理化学的性質

Kovats Retention Index1184

物理化学的性質

融点: -21 °C · -21°C
沸点: 111 °C/26mm · 111°C/26mm
比重(密度): 1 · 1,05 g/cm3
屈折率: 1.532 · 1.5320
闪点: 111 °C/26mm · 111°C/26mm
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2-8°C
外見: clear liquid
色: Colorless to Light yellow
水溶解度: 水に不溶。
CAS データベース: 1467 · 1467-05-6(CAS DataBase Reference)
EPAの化学物質情報: 4 · 4-Ethylbenzyl chloride (1467-05-6)

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H290 (14.3%): May be corrosive to metals [Warning Corrosive to Metals]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H318 (14.3%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (14.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P234, P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P363, P390, P403+P233, P405, P406, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 7 reports by companies from 4 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 CategoriesMet. Corr. 1 (14.3%)；Skin Corr. 1B (100%)；Eye Dam. 1 (14.3%)；STOT SE 3 (14.3%)

安全データ

tsca: TSCA listed
ridadr: 1760
hs_code: 29039990
risk_code: 34
消防法: 危-4-3-III
hazard_code: Xi
safety_code: 26-36/37/39
hazard_class: 8
packing_group: III

化学と産業

用途と製造

General Manufacturing InformationBenzene, 1-(chloromethyl)-4-ethyl-: INACTIVE

応用分野 · 1 件

使用4-Ethylbenzyl Chloride (CAS# 1467-05-6) can be used for oxidative degeneration of fragrant aldehydes in antiperspirant matrix leading to autoxidation and chlorinated products. It can also be used for extreme pressure additives toward lubricating oils and hydraulic fluids.