基本情報
- CAS
52006-63-0- 標準SMILES
CCc1cccs1- InChIKey
JCCCMAAJYSNBPR-UHFFFAOYSA-N- 分子式
- C6H8S
- 平均分子量
- 112.19 g/mol
- 単同位体質量
- 112.03467143
名称と識別子
- 優先名称
- 2-Ethylthiophene
- IUPAC
- 2-ethylthiophene
- 現地名
- 2-エチルチオフェン
- 英語名
- 2-Ethylthiophene
- 分子式
- C6H8S
- 分子量
- 112.19
名称と別名
2-ETHYLTHIOPHENE872-55-9Thiophene, 2-ethyl-EINECS 212-830-2E5616Q8745DTXSID90862452RefChem:472043DTXCID40811213212-830-2o-EthylthiopheneETHYLTHIOPHENE2-ethyl-thiophene
名称をさらに表示
2-エチルチオフェン2-Ethylthiophene99%2-Ethylthiophene>2-Ethylthiophene 97%2-Ethylthiophene ,98%2-Ethylthiophene, GC 99%2-Ethylthiophene ISO 9001：2015 REACH
MFCD0000546152006-63-02-ethyl thiophene2-Ethylthiophene, 97%SCHEMBL55039SCHEMBL91161SCHEMBL126623SCHEMBL127120
データベース識別子
- CAS
52006-63-0、872-55-9- PubChem CID
- 13388
- DTXSID
DTXSID90862452- UNII
- E5616Q8745
- EC Number
- 212-830-2
- Nikkaji
- J111B
物性
構造計算による物性
- XLogP
- 2.9
- 極性表面積
- 28.2 Ų
- 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
- 1
- 重原子数
- 7
- 形式電荷
- 0
- 複雑度
- 52
実験および物理化学的性質
LogP2.87
Solubility0.292 mg/mL at 25 °C
Boiling Point133.00 °C. @ 760.00 mm Hg
Kovats Retention Index
846；847；861；844；844；837；861；850；861.3；847；830；845；846；845；846；851
871；871；880；870；870；872；872；869；868；874；871；845；850；905；845；850；905；868；871；862.8
1179；1170；1172；1177；1177；1170；1167；1161；1162；1191；1179；1185；1183；1162；1173；1180；1182；1180；1182；1182.6
物理化学的性質
- 融点
- -66.9 °C · -66.9°C (estimate)
- 沸点
- 132 · 132-134 °C (lit.)
- 比重(密度)
- 0.99 g/mL · 0.99 g/mL at 25 °C (lit.)
- 蒸気圧
- 60.9 at · 60.9 at 60.3 °C, 92.2 at 70.3 °C, 136 at 80.3 °C, 197 at 90.3 °C, 280 at 100.3 °C (Eon et al., 1971)
- 屈折率
- 20 · n20/D 1.513(lit.)
- 闪点
- 70 °F · 70 °F
- 貯蔵温度
- Keep in dark place,Sealed in dry,Room Temperature
- 溶解性
- 0.29 g/リットル · 0.29g/リットル
- 外見
- 液体（推定）
- 比重
- 0.99 · 0.990
- 色
- 黄緑
- 水溶解度
- 水と混和しないか、または混合しにくい。
- BRN
- 105402 · 105402
- Henry's Law Constant
- 1.4 · 1.4×10-3 mol/(m3Pa) at 25℃, Yaws (2003)
- InChI
- 1S/C6H8S/c1-2-6-4-3-5-7-6/h3-5H,2H2,1H3
- InChIKey
- JCCCMAAJYSNBPR-UHFFFAOYSA-N
- SMILES
- CCc1cccs1
- LogP
- 2.87 · 2.870
- CAS データベース
- 872 · 872-55-9(CAS DataBase Reference)
- NISTの化学物質情報
- 2 · Thiophene, 2-ethyl-(872-55-9)
化学的性質
化学的特性Clear colorless to pink liquid
安全と法規制
GHS分類
GHS Classification
Warning
H226 (95.7%): Flammable liquid and vapor [Warning Flammable liquids]；H302 (66%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (66%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H332 (66%): Harmful if inhaled [Warning Acute toxicity, inhalation]
P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P317, P321, P330, P362+P364, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 141 reports by companies from 7 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
Regulatory Information
Chemical: Thiophene, 2-ethyl-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Thiophene, 2-ethyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesFlam. Liq. 3 (95.7%)；Acute Tox. 4 (66%)；Acute Tox. 4 (66%)；Acute Tox. 4 (66%)
法規制情報
Regulatory Information
Chemical: Thiophene, 2-ethyl-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Thiophene, 2-ethyl-: Does not have an individual approval but may be used under an appropriate group standard
安全データ
- F
- 8-10-13-23
- wgk
- 3
- ridadr
- UN 1993 3/PG 2
- hs_code
- 29349990
- risk_code
- 10-36/37/38-37-11
- 消防法
- 危-4-2-III
- hazard_code
- Xi,F
- hazard_note
- Irritant
- safety_code
- 23-24/25-37/39-26-16-33-29-7/9
- hazard_class
- 3
- packing_group
- II
- Hazard Classifications
- Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralFlam. Liq. 3
- ストレージクラス
- 3 - Flammable liquids
化学と産業
薬理情報
Cellular LocationsMembrane
応用分野
用途有機合成原料。
使用2-Ethylthiopheneis used in production of bispyranilidenes, dithiobispyranilidenes and diselenobispyranilidene for electronic or optoelectronic components with high efficiencies.
一般的な説明2-Ethylthiophene is an organosulfur compound belonging to the class of alkylated thiophenes.
上流・下流製品情報
下流製品
サプライヤー7 社
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
郑州鸿晟医药科技有限公司0371-0371-13526885213 15637198702 · [email protected]
Shanghai Daken Advanced Materials Co.,Ltd+86-2158073036 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
陕西缔都医药有限责任公司81148925 17391631969 · [email protected]
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418671 +86-189 4982 3763 · [email protected]
Dideu Industries Group Limited+8617392712697 · [email protected]
関連反応
18 件
化合物ノート
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