テトラブロモチオフェン

Tetrabromothiophene

HCID 77565CAS 3958-03-0

部分構造検索類似構造を探す

基本情報

標準SMILES: Brc1sc(Br)c(Br)c1Br
InChIKey: AVPWUAFYDNQGNZ-UHFFFAOYSA-N
分子式: C4Br4S
平均分子量: 399.73 g/mol
単同位体質量: 395.6454194

名称と識別子

優先名称: Tetrabromothiophene
IUPAC: 2,3,4,5-tetrabromothiophene
現地名: テトラブロモチオフェン
英語名: Tetrabromothiophene
分子式: C4Br4S
分子量: 399.72

名称と別名

Tetrabromothiophene3958-03-02,3,4,5-TetrabromothiopheneNSC 65427EINECS 223-554-7DTXSID40192695RefChem:188399Thiophene, tetrabromo-(8CI)DTXCID80115186Thiophene, tetrabromo-(8CI)(9CI)223-554-7AVPWUAFYDNQGNZ-UHFFFAOYSA-N

名称をさらに表示

テトラブロモチオフェンテトラプロモチオフェン2,3,4,5-テトラブロモチオフェンS0506TH-4BrAKOS 93380TetrabromthiophenTetrabromothiophene3Tetrabromothiophene 98%Tetrabromothiophene ,98%

PerbromothiopheneThiophene, tetrabromo-MFCD00005419Thiophene, 2,3,4,5-tetrabromo-NSC65427NSC-65427AKOS000282033AC-4924

データベース識別子

CAS: 3958-03-0
PubChem CID: 77565
DTXSID: DTXSID40192695
ChEMBL: CHEMBL87453
EC Number: 223-554-7
Nikkaji: J25.415K

物性

構造計算による物性

XLogP: 5
極性表面積: 28.2 Å²
水素結合供与体数: 0
水素結合受容体数: 1
回転可能結合数: 0
重原子数: 9
形式電荷: 0
複雑度: 96.7

実験および物理化学的性質

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy

物理化学的性質

融点: 116 · 116-118 °C (lit.)
沸点: 326 °C · 326 °C (lit.)
比重(密度): 2.836 · 2.836 (estimate)
闪点: 324 · 324-327°C
貯蔵温度: Keep in dark place,Sealed in dry,Room Temperature
外見: 結晶性粉末
色: クリーム～ブラウン
水溶解度: 水に不溶。有機溶剤に可溶。
BRN: 383664 · 383664
InChI: InChI=1S/C4Br4S/c5-1-2(6)4(8)9-3(1)7
InChIKey: AVPWUAFYDNQGNZ-UHFFFAOYSA-N
SMILES: C1(Br)SC(Br)=C(Br)C=1Br
CAS データベース: 3958 · 3958-03-0(CAS DataBase Reference)
NISTの化学物質情報: Thiophene, tetrabromo-(3958-03-0)

化学的性質

化学的特性white to light yellow crystal powder

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302+H312+H332 (12.5%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 8 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory InformationThiophene, tetrabromo-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 4 (25%)

安全データ

wgk: 3
hs_code: 29349990
risk_code: 36/37/38
hazard_code: Xi
hazard_note: Irritant
safety_code: 24/25
hazard_class: LIGHT SENSITIVE
ストレージクラス: 13 - Non Combustible Solids

化学と産業

応用分野

使用Tetrabromothiophene, holds wide applications in organic electronics and photonics. It is an important raw material and intermediate used in organic Synthesis, pharmaceuticals, agrochemicals and dyestuff.

上流・下流製品情報

下流製品

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