CAS 626-15-3 Benzene, 1,3-bis(bromomethyl)- (HCID 69373)

名称と識別子

優先名称: Benzene, 1,3-bis(bromomethyl)-
IUPAC: 1,3-bis(bromomethyl)benzene
現地名: α,α'-ジブロモ-m-キシレン
英語名: 1,3-Bis(bromomethyl)benzene
分子式: C8H8Br2
分子量: 263.96

名称と別名

1,3-Bis(bromomethyl)benzene626-15-3m-Xylylene dibromideBenzene, 1,3-bis(bromomethyl)-m-Bis(bromomethyl)benzeneNSC 28040CCRIS 1777m-Xylene, alpha,alpha'-dibromo-EINECS 210-931-6DTXSID90608131,3-bis(bromomethyl)-benzeneRefChem:562277

名称をさらに表示

α,α'-ジブロモ-m-キシレン1,3-ジ(ブロモメチル)ベンゼン1,3-キシリレンジブロミド1,3-ビス(ブロモメチル)ベンゼン1,3-フェニレンビス(ブロモメタン)m-キシレンブロミドm-キシリレンジブロミドm-キシリレンブロミドΑ,Α′-ジブロモ-M-キシレン二臭化M-キシリレンΑ,Α′‐ジブロモ‐M‐キシレンA,A-DIBROMO-M-XYLENE (1.0 MG/ML IN ACETONE)m-Xylene dibromideM-XYLYLENE BROMIDEa,a'-Dibromo-m-xyleneJACS-626-15-3M-Bezyl DibroMideM-Benzyl DibroMideXylenedibromide,97%M-XYLYENE DIBROMIDEM-XYLIDENE DIBROMIDE

DTXCID1043411m-Xylene, alpha,alpha'-dibromo-(8CI)InChI=1/C8H8Br2/c9-5-7-2-1-3-8(4-7)6-10/h1-4H,5-6Halpha,alpha'-Dibromo-m-xyleneMFCD00000178alpha,alpha-dibromo-m-xyleneMTF8V3HX3Hm-Xylene, .alpha.,.alpha.'-dibromo-

データベース識別子

CAS: 626-15-3
PubChem CID: 69373
DTXSID: DTXSID9060813
UNII: MTF8V3HX3H
EC Number: 210-931-6
Nikkaji: J134.734I

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: 83.3

実験および物理化学的性質

SpringerMaterials PropertiesFusion temperature

物理化学的性質

融点: 74 · 74-77 °C(lit.)
沸点: 135 · 135-140 °C20 mm Hg(lit.)
比重(密度): 1.959 · 1.9590
屈折率: 1.6113 · 1.6113 (estimate)
貯蔵温度: Keep in dark place,Sealed in dry,Room Temperature
溶解性: 0.1 g/mL、透明、無色 · ジオキサン: 0.1 g/mL、透明、無色
外見: 結晶性粉末およびチャンク
色: 白から茶色
水溶解度: 水に不溶。
BRN: 971085 · 971085
InChI: InChI=1S/C8H8Br2/c9-5-7-2-1-3-8(4-7)6-10/h1-4H,5-6H2
InChIKey: OXHOPZLBSSTTBU-UHFFFAOYSA-N
SMILES: C1(CBr)=CC=CC(CBr)=C1
CAS データベース: 626 · 626-15-3(CAS DataBase Reference)
NISTの化学物質情報: 1 · Benzene, 1,3-bis(bromomethyl)-(626-15-3)
EPAの化学物質情報: 1 · 1,3-Bis(bromomethyl)benzene (626-15-3)

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 · 4 件

Danger

H314 (16.7%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P233, P260, P261, P264, P264+P265, P271, P280, P284, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P337+P317, P342+P316, P362+P364, P363, P403, 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 Information1,3-Bis(bromomethyl)-benzene: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Corr. 1B (16.7%)

安全データ

F: 8-19-21
wgk: 3
tsca: TSCA listed
ridadr: UN 3448 6.1/PG 2
hs_code: 29036990
risk_code: 36/37/38-43
hazard_code: Xi
safety_code: 26-36/37
hazard_class: 8
packing_group: III
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
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, 1,3-bis(bromomethyl)-: ACTIVE

応用分野

使用1,3-Bis(bromomethyl)benzene has been used in preparation of four novel dinuclear half-titanocenes with meta - and ortho xylene bridges as new metallocenes 1 . It was used in the synthesis of dissymmetrical bis -macrocyclic salt 2 .

一般的な説明α,α′-Dibromo-m-xylene can cross-link and cyclize peptides containing two cysteine residues.

調製方法

純化方法Crystallise it from acetone or *benzene, and fractionally distil it under vacuum. [Wenner Org Chem 17 527 1952, Beilstein 5 H 374, 5 I 184, 5 II 294, 5 III 839, 5 IV 946.]