CAS 20443-98-5 1-Bromomethyl-2,6-dichlorobenzene (HCID 30159)

名称と識別子

優先名称: 1-Bromomethyl-2,6-dichlorobenzene
IUPAC: 2-(bromomethyl)-1,3-dichlorobenzene
現地名: 2,6-ジクロロベンジルブロミド
英語名: 2,6-Dichlorobenzyl bromide
分子式: C7H5BrCl2
分子量: 239.92

名称と別名

2,6-Dichlorobenzyl bromide20443-98-5Benzene, 2-(bromomethyl)-1,3-dichloro-alpha-Bromo-2,6-dichlorotoluene1-Bromomethyl-2,6-dichlorobenzeneEINECS 243-827-4NSC 93898BRN 0637351MP9K6Y018HNSC-93898TOLUENE, alpha-BROMO-2,6-DICHLORO-DTXSID60174392

名称をさらに表示

2,6-ジクロロベンジルブロミドα-ブロモ-2,6-ジクロロトルエン1-(ブロモメチル)-2,6-ジクロロベンゼン2,6-ジクロロベンジルブロミドΑ‐ブロモ‐2,6‐ジクロロトルエン2-(ブロモメチル)-1,3-ジクロロベンゼン2,6-ジクロロベンジル=ブロミド1-ブロモメチル-2,6-ジクロロベンゼン2-(BROMOMETHYL)-1,3-DICHLOROBENZENEVilanterol Impurity 326-Dichlorobenzyl broMide2,6-Didhlorobenzylbromideà-bromo-2,6-dichlorotolueneA-BROMO-2,6-DICHLOROTOLUENEα-Bromo-2,6-dichlorotolueneDICHLOROBENZYL(2,6-) BROMIDE2,6-two chlorobenzyl broMide

4-05-00-00834 (Beilstein Handbook Reference)RefChem:4307662,6dichlorobenzyl bromideToluene, alphabromo2,6dichloroDTXCID2096883Benzene, 2(bromomethyl)1,3dichloroBenzene, 2(bromomethyl)1,3dichloro (9CI)Benzene, 2-(bromomethyl)-1,3-dichloro-(9CI)

データベース識別子

CAS: 20443-98-5
PubChem CID: 30159
DTXSID: DTXSID60174392
UNII: MP9K6Y018H
EC Number: 243-827-4
Nikkaji: J59.688D

物性

構造計算による物性

XLogP: 3.7
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: 1
重原子数: 10
形式電荷: 0
複雑度: 97.8

実験および物理化学的性質

Chemical ClassesOther Classes -> Halogenated Monoaromatics

Physical DescriptionWhite crystals with a pungent odor; [Alfa Aesar MSDS]

物理化学的性質

融点: 54 · 54-56 °C(lit.)
沸点: 110 °C · >110°C
比重(密度): 1.5832 · 1.5832 (rough estimate)
屈折率: 1.57 · 1.5700 (estimate)
闪点: 230 °F · >230 °F
貯蔵温度: Inert atmosphere,Room Temperature
溶解性: 0.1 g/mL、透明 · メタノール: 0.1 g/mL、透明
外見: 結晶または結晶性粉末
色: 無色～白色
BRN: 637351 · 637351
InChI: InChI=1S/C7H5BrCl2/c8-4-5-6(9)2-1-3-7(5)10/h1-3H,4H2
InChIKey: PDFGFQUSSYSWNI-UHFFFAOYSA-N
SMILES: C1(Cl)=CC=CC(Cl)=C1CBr
CAS データベース: 20443 · 20443-98-5(CAS DataBase Reference)
NISTの化学物質情報: 2 · Benzene, 2-(bromomethyl)-1,3-dichloro-(20443-98-5)

化学的性質

化学的特性White solid

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

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

Aggregated GHS information provided per 48 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory InformationBenzene, 2-(bromomethyl)-1,3-dichloro-: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryIntravenous LD50 (mouse) = 75 mg/kg; [RTECS] Causes burns and lachrymation; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; [Alfa Aesar MSDS]

Hazard Classes and CategoriesSkin Corr. 1B (100%)

毒性情報

Adverse EffectsDermatotoxin - Skin burns.

安全データ

F: 19
wgk: 3
rtecs: XS7966000
ridadr: UN 3261 8/PG 2
hs_code: 29039990
risk_code: 34-36/37-36
hazard_code: C
safety_code: 22-26-27-28-36/37/39-45-25
hazard_class: 8
packing_group: II
Hazard Classifications: Eye Dam. 1Skin Corr. 1BSTOT SE 3
ストレージクラス: 8A - Combustible corrosive hazardous materials

化学と産業

応用分野 · 1 件

使用2,6-Dichlorobenzyl Bromide is used in the preparation of potent epoxide hydrolase inhibitors. Has shown thus far to relieve hypotension in lipopolysaccharide deficient murine models. As well they have been used in the synthesis of anti-HIV drugs based on diaryltriazine (DATA) analogues.