alpha,alpha'-Dichloro-p-xylene (HCID 12171)

名称と識別子

優先名称: alpha,alpha'-Dichloro-p-xylene
IUPAC: 1,4-bis(chloromethyl)benzene
現地名: α,α'-ジクロロ-p-キシリレン
英語名: alpha,alpha'-Dichloro-p-xylene
分子式: C8H8Cl2
分子量: 175.06

名称と別名

1,4-Bis(chloromethyl)benzene623-25-6alpha,alpha'-Dichloro-p-xyleneBenzene, 1,4-bis(chloromethyl)-Benzene, p-bis(chloromethyl)-p-Xylene-alpha,alpha'-dichlorideNSC-3697655E5A3M473DTXSID7022091RefChem:731391,4-bischloromethylbenzol1,4-bischloromethylbenzene

名称をさらに表示

α,α'-ジクロロ-p-キシリレン1,4-ビス(クロロメチル)ベンゼンp-キシリレンクロリドp-ビス(クロロメチル)ベンゼン4-(クロロメチル)ベンジルクロリド1,4-キシリレンジクロリドα,α'-ジクロロ-p-キシレン1,4-ジ(クロロメチル)ベンゼンp-キシリレンジクロリドキシリレンジクロライドα,α'ジクロロpキシレンΑ,Α′-ジクロロ-P-キシレン二塩化P-キシリレンΑ,Α′‐ジクロロ‐P‐キシレンp-キシリレンジクロライド2,2′-ジクロロ-p-キシレンp-キシレンジクロリドPXCL2cp21645p-Xylylenep-DichloroxyleneDICHLORO-P-XYLENEP-xylene chloridea,a-DichloroxyleneXYLENEDICHLORIDE-PP-XYLENE DICHLORIDE

DTXCID302091210-782-7Dichlorodi-p-xylylenep-Xylylene dichloridep-Xylylene chloridep-Bis(chloromethyl)benzenea,a'-dichloro-p-xylene1,4-di(chloromethyl)benzene

データベース識別子

CAS: 623-25-6
PubChem CID: 12171
DTXSID: DTXSID7022091
UNII: 55E5A3M473
EC Number: 210-782-7
Nikkaji: J1.675F

物性

構造計算による物性

XLogP: 2.7
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: 73

物理化学的性質

融点: 98 · 98-101 °C(lit.)
沸点: 254 °C · 254 °C(lit.)
比重(密度): 1 · 1,417 g/cm3
蒸気圧: 0.541 Pa · 0.541Pa at 25℃
屈折率: 1.5544 · 1.5544 (estimate)
闪点: 254 °C · 254°C
貯蔵温度: Inert atmosphere,Room Temperature
溶解性: 50 mg/mL、透明 · メタノール: 50 mg/mL、透明
外見: 結晶性固体
色: 白色～淡黄色
水溶解度: 加水分解
BRN: 774706 · 774706
InChI: 1S/C8H8Cl2/c9-5-7-1-2-8(6-10)4-3-7/h1-4H,5-6H2
InChIKey: ZZHIDJWUJRKHGX-UHFFFAOYSA-N
SMILES: ClCc1ccc(CCl)cc1
LogP: 3 at · 3 at 25℃
CAS データベース: 623 · 623-25-6(CAS DataBase Reference)
NISTの化学物質情報: 1 · Benzene, 1,4-bis(chloromethyl)-(623-25-6)
EPAの化学物質情報: 1 · Benzene, 1,4-bis(chloromethyl)- (623-25-6)

化学的性質

化学的特性white to light yellow crystal powde

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H302 (98.2%): Harmful if swallowed [Warning Acute toxicity, oral]；H314 (16.1%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H315 (82.1%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (80.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H330 (16.1%): Fatal if inhaled [Danger Acute toxicity, inhalation]；H400 (96.4%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]；H410 (96.4%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]

P260, P264, P264+P265, P270, P271, P273, P280, P284, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P320, P321, P330, P332+P317, P337+P317, P362+P364, P363, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 56 reports by companies from 11 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

Regulatory Information · 2 件

Chemical: Benzene, 1,4-bis(chloromethyl)-

Status: Active Update: 18-07-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/23918；Status: Active Update: 26-10-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/34214

Hazard Classes and CategoriesAcute Tox. 4 (98.2%)；Skin Corr. 1B (16.1%)；Skin Irrit. 2 (82.1%)；Eye Irrit. 2 (80.4%)；Acute Tox. 2 (16.1%)；Aquatic Acute 1 (96.4%)；Aquatic Chronic 1 (96.4%)

法規制情報

Regulatory Information · 2 件

Chemical: Benzene, 1,4-bis(chloromethyl)-

Status: Active Update: 18-07-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/23918；Status: Active Update: 26-10-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/34214

安全データ

F: 9-19-21
wgk: 3
tsca: TSCA listed
rtecs: ZE4100000
ridadr: 3261
hs_code: 29036990
risk_code: 22-36/38-36/37/38-26-50/53-34-36
化審法: (3)-47
hazard_code: Xn,Xi,T+,C
hazard_note: Irritant
safety_code: 26-36/37-45-36/37/39-28A-27
hazard_class: 6.1
packing_group: II
Hazard Classifications: Acute Tox. 2 InhalationAquatic Acute 1Aquatic Chronic 1Skin Irrit. 2Skin Sens. 1A
ストレージクラス: 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials

化学と産業

用途と製造

General Manufacturing InformationBenzene, 1,4-bis(chloromethyl)-: ACTIVE

応用分野 · 2 件

使用α,α′-Dichloro-p-xylene is a monomer used in preparation of poly(p-phenylene vinylene(PPV) nanotubes and nanorods by chemical vapor deposition (CVD) polymerization method 1 . α,α′-Dichloro-p-xylene was used in a study to investigate the effect of CVD monomer selection and reaction conditions on the resulting PPV polymer layer composition and luminescence properties 2 .

一般的な説明α,α′-Dichloro-p-xylene undergoes phase transfer catalysed polycondensation with t-butylcyanoacetate to form carbon-carbon chain polymer.