1,4-ベンゼンジチオール

1,4-Benzenedithiol

HCID 4691729
ノート反応
部分構造検索類似構造を探す

基本情報

CAS
624-39-5
標準SMILES
Sc1ccc(S)cc1
InChIKey
WYLQRHZSKIDFEP-UHFFFAOYSA-N
分子式
C6H6S2
平均分子量
142.2 g/mol
単同位体質量
141.99109254

名称と識別子

優先名称
1,4-Benzenedithiol
IUPAC
benzene-1,4-dithiol
現地名
1,4-ベンゼンジチオール
英語名
1,4-BENZENEDITHIOL
分子式
C6H6S2
分子量
142.24

名称と別名

1,4-Benzenedithiol624-39-5DTXSID80405615RefChem:73100DTXCID50356468677-344-9benzene-1,4-dithiolDithiohydroquinoneMFCD001425414-mercaptothiophenolC6H6S2SCHEMBL64710
名称をさらに表示
1,4-ベンゼンジチオールジチオヒドロキノン1,4‐ベンゼンジチオール1,4-ベンゼンジチオール, 97%ベンゼン-1,4-ビスチオール1,4-ベンゼンビスチオールp-ジチオヒドロキノンベンゼン-1,4-ジチオールP-BDTp-Benzenedithiol1,4-phenyldithiol1,4-dimercaptobenzene1,4-Benzenedithiol >1,4-Benzenedithiol,95%
GEO-04155AKOS005207204MS-20722B1505CS-0100444AMY223551,4-Benzenendithiol1,4-benzene dithiol

データベース識別子

CAS
624-39-5
PubChem CID
4691729
DTXSID
DTXSID80405615
EC Number
677-344-9
Nikkaji
J6.850K

物性

構造計算による物性

XLogP
2.1
極性表面積
2 Ų
水素結合供与体数
2
水素結合受容体数
2
回転可能結合数
0
重原子数
8

物理化学的性質

融点
90 °C · 90°C
沸点
243.3 · 243.3±23.0 °C(Predicted)
比重(密度)
1.24 · 1.240±0.06 g/cm3(Predicted)
貯蔵温度
2 · 2-8°C
酸解離定数(Pka)
5.92 · 5.92±0.10(Predicted)
外見
粉末または結晶

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (80%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (20%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (80%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+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 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Acute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (20%)；Acute Tox. 4 (100%)

安全データ

wgk
3
ridadr
2811
hs_code
2930.90.2900
risk_code
20/21/22-36/37/38
safety_code
26-36/37/39
hazard_class
9

化学と産業

応用分野 · 2 件

使用1,4-Benzenedithiol is used in single molecule junctions in electronic devices. It is also used to treat silver nano particles and in the preparation of gold electrodes. It finds an application in nanomaterial synthesis and in self-assembled monolayer.

一般的な説明Benzene-1,4-dithiol (BDT) is a class of aromatic dithiol that can be used to form a self-assembled monolayer (SAM) on a variety of surfaces.

上流・下流製品情報

サプライヤー100 社

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

関連反応

4 件
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