1,3,5-トリブロモベンゼン

1,3,5-Tribromobenzene

HCID 12279

基本情報

CAS
626-39-1
標準SMILES
Brc1cc(Br)cc(Br)c1
InChIKey
YWDUZLFWHVQCHY-UHFFFAOYSA-N
分子式
C6H3Br3
平均分子量
314.8 g/mol
単同位体質量
311.7784864

名称と識別子

優先名称
1,3,5-Tribromobenzene
IUPAC
1,3,5-tribromobenzene
現地名
1,3,5-トリブロモベンゼン
英語名
1,3,5-Tribromobenzene
分子式
C6H3Br3
分子量
314.8

名称と別名

1,3,5-TRIBROMOBENZENE626-39-1Benzene, 1,3,5-tribromo-DTXSID3052307O3TD0U1OAQDTXCID0030879NSC-62439RefChem:72330210-947-31,3,5-tribromo-benzeneEINECS 210-947-3MFCD00000080
名称をさらに表示
1,3,5-トリブロモベンゼン1,3,5トリブロモベンゼン1,3,5-トリブロモベンゼン 臭化物1,3,5‐トリブロモベンゼン1,3,5‐トリブロモベンゼン標準品1,3,5-トリブロモベンゼン, 50 µg/mL in Acetone1,3,5-トリブロモベンゼン, 98%トリブロモベンゼン1,3,5-トリブロモベンゼン標準品Tribromobenzene1,3,5-tribromo-benzenK03375-TribroMobenzeneTribromobenzene,98%1,3,5-tribroMophenylBenzene,1,3,5-tribromo-I,3,5-TribrombenzolC&W%161,3,5-Tribromobenzene >
AI3-154831,3,5-tribromobezeneBenzene,3,5-tribromo-1,3,5-Tribromobenzene, 98%NCGC00357185-01CAS-626-39-1SY006267CS-0019382

データベース識別子

CAS
626-39-1
PubChem CID
12279
DTXSID
DTXSID3052307
UNII
O3TD0U1OAQ
EC Number
210-947-3
Nikkaji
J3.310C

物性

構造計算による物性

XLogP
4.5
極性表面積
0 Ų
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
0
重原子数
9

実験および物理化学的性質

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

物理化学的性質

融点
117 · 117-121 °C (lit.)
沸点
271 °C · 271 °C (lit.)
比重(密度)
2.3515 · 2.3515 (estimate)
屈折率
1.634 · 1.6340 (estimate)
闪点
271 °C · 271°C
貯蔵温度
Keep in dark place,Sealed in dry,Room Temperature
化学的性質 · 1 件

化学的特性Lump powder; Vapour pressure of 1,3,5-tribromobenzene between 295 and 389 K (solid) and 397 and 410 K (liquid). The enthalpies of sublimation and vaporisation were derived from the relationship between vapour pressure and temperature: ΔH°SUB(334.78 K) = 83.54 ± 2 kJ/mol and ΔH°vap(403.23 K) = 58.68 ± 1.5 kJ/mol.

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (17%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 53 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 2 件

Hazard Traits - Bioaccumulation; Environmental Persistence

1,3,5-tribromobenzene: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and CategoriesSkin Irrit. 2 (17%)

安全データ

wgk
3
tsca
TSCA listed
rtecs
DC1957200
hs_code
29036990
risk_code
36/37/38-53
hazard_code
Xi

化学と産業

用途と製造

General Manufacturing InformationBenzene, 1,3,5-tribromo-: ACTIVE
応用分野 · 3 件

用途有機合成原料。

使用1,3,5-Tribromobenzene, is a reagent that can be used in the preparation of different inhibitors. It is also a substituted Bromobenzene, a general reagent in palladium-catalyzed reactions and in the synthesis of Grignard reagents.

一般的な説明1,3,5-Tribromobenzene(TBB) acts as internal standard during derivatization step in determination of cyanide in human plasma and urine by gas chromatography-mass spectrometry. TBB forms molecular complexes of 1:2 stoichiometry with [60]-and [70] fullerenes. TBB reacts with perfluoroalkenylzinc reagent in the presence of Pd(Ph3)4 catalyst to yield a novel trifunctional monomer 1,3,5-tris(α, β, β-trifluorovinyl)benzene.

調製方法

純化方法Crystallise it from glacial acetic acid/water (4:1), then wash with chilled EtOH and dry in air. [Beilstein 5 H 213, 5 IV 685.]

サプライヤー100 社

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関連反応

63 件

化合物ノート

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