5-クロロ-1-フェニル-1H-テトラゾール
1H-Tetrazole, 5-chloro-1-phenyl-
データを補完しています。しばらくしてからページを更新すると最新の内容を表示できます
基本情報
- CAS
14210-25-4- 標準SMILES
Clc1nnnn1-c1ccccc1- InChIKey
DHELIGKVOGTMGF-UHFFFAOYSA-N- 分子式
- C7H5ClN4
- 平均分子量
- 180.59 g/mol
- 単同位体質量
- 180.0202739
名称と識別子
- 優先名称
- 1H-Tetrazole, 5-chloro-1-phenyl-
- IUPAC
- 5-chloro-1-phenyltetrazole
- 現地名
- 5-クロロ-1-フェニル-1H-テトラゾール
- 英語名
- 5-Chloro-1-phenyl-1H-tetrazole
- 分子式
- C7H5ClN4
- 分子量
- 180.59
名称と別名
5-Chloro-1-phenyl-1H-tetrazole5-Chloro-1-phenyltetrazole1H-Tetrazole, 5-chloro-1-phenyl-5-Chloro-1-phenyl-1H-tetrazolEINECS 238-065-4AI3-61645DTXSID9065730RefChem:79970DTXCID2034625238-065-4DHELIGKVOGTMGF-UHFFFAOYSA-N14210-25-4
名称をさらに表示
5-クロロ-1-フェニル-1H-テトラゾール5-クロロ-1-フェニル-1H-テトラゾール 塩化物5-クロロ-1-フェニルテトラゾールRARECHEM AQ NN 0459Allisartan Isoproxil Impurity 475-Chloro-1-phenyl-1H-tetrazole >5-Chloro-1-phenyl-1H-tetrazole,97%5-Chloro-1-phenyl-1H-tetrazole, 98+%
5-Chloro-1-Phenyl-1H-1,2,3,4-TetrazoleMFCD000031285-chloro-1-phenyl-tetrazole5-Chloro-1-phenyl-1H-1,2,3,4-tetraazole1-phenyl-5-chlorotetrazole5-chloro-1-phenyl-1,2,3,4-tetraazole1-Phenyl-5-chlortetrazolN-phenyl-5-chlorotetrazole
データベース識別子
- CAS
14210-25-4- PubChem CID
- 84262
- DTXSID
DTXSID9065730- EC Number
- 238-065-4
- Nikkaji
- J269K
物性
構造計算による物性補完中
- XLogP
- 1.5
- 極性表面積
- 43.6 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 3
- 回転可能結合数
- 1
- 重原子数
- 12
- 形式電荷
- 0
- 複雑度
- 148
物理化学的性質
- 融点
- 120 · 120-123 °C (lit.)
- 沸点
- 297.55 °C · 297.55°C (rough estimate)
- 比重(密度)
- 1.3947 · 1.3947 (rough estimate)
- 屈折率
- 1.611 · 1.6110 (estimate)
- 貯蔵温度
- 30 °C · Store below +30°C.
- 溶解性
- 25 mg/mL · ジクロロメタン：可溶25mg/mL 無色透明
- 酸解離定数(Pka)
- -0.27 · -0.27±0.10(Predicted)
- 外見
- solid
- BRN
- 139070 · 139070
- InChI
- 1S/C7H5ClN4/c8-7-9-10-11-12(7)6-4-2-1-3-5-6/h1-5H
- InChIKey
- DHELIGKVOGTMGF-UHFFFAOYSA-N
- SMILES
- Clc1nnnn1-c2ccccc2
- CAS データベース
- 14210 · 14210-25-4(CAS DataBase Reference)
- EPAの化学物質情報
- 1 H-Tetrazole, · 1H-Tetrazole, 5-chloro-1-phenyl- (14210-25-4)
化学的性質
化学的特性light yellow to beige crystalline powder
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P271, 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 45 reports by companies from 5 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: 1H-Tetrazole, 5-chloro-1-phenyl-
1H-Tetrazole, 5-chloro-1-phenyl-: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (97.8%)
法規制情報
Regulatory Information
Chemical: 1H-Tetrazole, 5-chloro-1-phenyl-
1H-Tetrazole, 5-chloro-1-phenyl-: Does not have an individual approval but may be used under an appropriate group standard
化学と産業
用途と製造
General Manufacturing Information1H-Tetrazole, 5-chloro-1-phenyl-: INACTIVE
応用分野
使用5-Chloro-1-phenyl-1H-tetrazole is used as a reactant in the preparation of biaryls via phosphine-catalyzed Suzuki-Miyaura coupling of aryl halides with arylboronic acids.
一般的な説明5-Chloro-1-phenyl-1H-tetrazole reacts with 2-hydroxyacetophenone to yield 1-phenyl-1H-tetrazol-5-oxy linked compound.
上流・下流製品情報
上流原料
下流製品
関連反応
45 件
化合物ノート
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