1,3,5-トリス(ブロモメチル)ベンゼン

1,3,5-Tris(bromomethyl)benzene

HCID 530258

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 18226-42-1
標準SMILES: BrCc1cc(CBr)cc(CBr)c1
InChIKey: GHITVUOBZBZMND-UHFFFAOYSA-N
分子式: C9H9Br3
平均分子量: 356.88 g/mol
単同位体質量: 353.82543659

名称と識別子

優先名称: 1,3,5-Tris(bromomethyl)benzene
IUPAC: 1,3,5-tris(bromomethyl)benzene
現地名: 1,3,5-トリス(ブロモメチル)ベンゼン
英語名: 1,3,5-Tris(bromomethyl)benzene
分子式: C9H9Br3
分子量: 356.88

名称と別名

1,3,5-Tris(bromomethyl)benzene18226-42-1Benzene, 1,3,5-tris(bromomethyl)-DTXSID20336232RefChem:72361DTXCID70287321629-248-3GHITVUOBZBZMND-UHFFFAOYSA-N1,3,5-(Tribromomethyl)benzeneMFCD00182500tris-(Bromomethyl)benzenealpha,alpha',alpha''-Tribromomesitylene

名称をさらに表示

1,3,5-トリス(ブロモメチル)ベンゼンα,α',α''-トリブロモメシチレン1,3,5-Tris(bromometh1,3,5-Tris(bromomethyL1，3，5-tri(bromethyl)benzene1,3,5-TRIS(BROMOMETHYL)BENZENE,98%1 3 5-TRIS(BROMOMETHYL)BENZENE 971,3,5-Tris(broMoMethyl)benzene 97%

1,3,5-trisbromomethyl benzeneAKOS015836010CS-W004613PS-99891,3,5-Tris(bromomethyl)benzene, 97%EN300-218677Q274679341,3,5-tri(bromomethyl)benzene

データベース識別子

CAS: 18226-42-1
PubChem CID: 530258
DTXSID: DTXSID20336232
EC Number: 629-248-3
Nikkaji: J545.079I

物性

構造計算による物性

XLogP: 3.6
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: 3
重原子数: 12
形式電荷: 0
複雑度: 91.2

物理化学的性質

融点: 94 · 94-99 °C
沸点: 352.2 · 352.2±37.0 °C(Predicted)
比重(密度): 2.005 · 2.005±0.06 g/cm3(Predicted)
貯蔵温度: 2 · Storage temp. 2-8°C
溶解性: Chloroform (Slightly), Methanol (Slightly)
外見: powder to crystal
色: White to Light yellow
InChI: InChI=1S/C9H9Br3/c10-4-7-1-8(5-11)3-9(2-7)6-12/h1-3H,4-6H2
InChIKey: GHITVUOBZBZMND-UHFFFAOYSA-N
SMILES: C1(CBr)=CC(CBr)=CC(CBr)=C1
CAS データベース: 18226 · 18226-42-1(CAS DataBase Reference)

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

Aggregated GHS information provided per 41 reports by companies from 2 notifications to the ECHA C&L Inventory.

危険有害性情報

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

安全データ

wgk: 3
ridadr: UN 3261 8/PG 2
hs_code: 29039990
risk_code: 34
hazard_code: C
safety_code: 26-36/37/39-45
hazard_class: 8
packing_group: II
Hazard Classifications: Skin Corr. 1B
ストレージクラス: 8A - Combustible corrosive hazardous materials

化学と産業

応用分野

使用1,3,5-Tris(bromomethyl)benzene can be used to treat bacterial infections and potentiation of antibiotics.

一般的な説明1,3,5-Tris(bromomethyl)benzene has three bromo substituents around an aromatic ring that can be used as a cross-linker. It is mainly utilized in the synthesis of ligands and dendrimeric monomers.