基本情報
- CAS
70918-00-2- 標準SMILES
O=C(C1COc2ccccc2O1)N1CCNCC1- InChIKey
FLUPDJNTYCSBJZ-UHFFFAOYSA-N- 分子式
- C13H16N2O3
- 平均分子量
- 248.28 g/mol
- 単同位体質量
- 248.11609238
名称と識別子
- 優先名称
- N-1,4-Benzodioxane-2-carbonyl piperazine
- IUPAC
- 2,3-dihydro-1,4-benzodioxin-3-yl(piperazin-1-yl)methanone
- 現地名
- 2-(1-ピペラジニルカルボニル)-1,4-ベンゾジオキサン
- 英語名
- 1-(1,4-Benzodioxane-2-carbonyl)piperazine
- 分子式
- C13H16N2O3
- 分子量
- 248.28
名称と別名
名称をさらに表示
データベース識別子
- CAS
70918-00-2- PubChem CID
- 2735449
- UNII
- 53FEH46OYE
- EC Number
- 700-374-1
- Nikkaji
- J1.082.664K
物性
構造計算による物性
- XLogP
- 0.7
- 極性表面積
- 50.8 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 4
- 回転可能結合数
- 1
- 重原子数
- 18
- 形式電荷
- 0
- 複雑度
- 305
物理化学的性質
- 融点
- 103 to · 103.0 to 107.0 °C
- 沸点
- 437.2 · 437.2±45.0 °C(Predicted)
- 比重(密度)
- 1.246 · 1.246±0.06 g/cm3(Predicted)
- 溶解性
- soluble in Methanol
- 酸解離定数(Pka)
- 8.32 · 8.32±0.10(Predicted)
- 外見
- Powder
- 色
- White to Light yellow
- CAS データベース
- 70918 · 70918-00-2(CAS DataBase Reference)
化学的性質
化学的特性White or light brown powder
安全と法規制
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 7.1% (1 of 14) of reports.
Danger
H301 (64.3%): Toxic if swallowed [Danger Acute toxicity, oral];H302 (14.3%): Harmful if swallowed [Warning Acute toxicity, oral];H311 (64.3%): Toxic in contact with skin [Danger Acute toxicity, dermal];H315 (28.6%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (28.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H331 (64.3%): Toxic if inhaled [Danger Acute toxicity, inhalation];H335 (21.4%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation];H373 (64.3%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure];H411 (64.3%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P260, P261, P262, P264, P264+P265, P270, P271, P273, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 14 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 1 of 14 reports by companies.;There are 5 notifications provided by 13 of 14 reports by companies with hazard statement code(s).;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
法規制情報
安全データ
- hs_code
- 2933.59.9500
- risk_code
- 23/24/25-48/22-51/53
- hazard_code
- Xi,N,T
- safety_code
- 53-45-61
- hazard_class
- IRRITANT
化学と産業
応用分野
用途有機合成原料。
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