基本情報
- CAS
42523-38-6- 標準SMILES
O=C(O)c1cccc2c1-c1ccc([N+](=O)[O-])cc1C2=O- InChIKey
QSYJYVBDMIMYCS-UHFFFAOYSA-N- 分子式
- C14H7NO5
- 平均分子量
- 269.21 g/mol
- 単同位体質量
- 269.03242232
名称と識別子
- 優先名称
- 7-Nitro-9-oxo-4-fluorenecarboxylic acid
- IUPAC
- 7-nitro-9-oxofluorene-4-carboxylic acid
- 現地名
- 7-ニトロ-9-オキソ-9H-フルオレン-4-カルボン酸
- 英語名
- 7-Nitro-9-oxo-4-fluorenecarboxylic acid
- 分子式
- C14H7NO5
- 分子量
- 269.21
名称と別名
7-Nitro-9-oxo-4-fluorenecarboxylic acidRefChem:546914630-999-442523-38-67-Nitro-9-oxo-9H-fluorene-4-carboxylic acid7-nitro-9-oxofluorene-4-carboxylic acid9H-Fluorene-4-carboxylic acid, 7-nitro-9-oxo-MLS0027066782-Nitrofluorenone-5-carboxylic acidBRN 19941857-Nitro-9-fluorenone-4-carboxylic acid2-10-00-00535 (Beilstein Handbook Reference)
名称をさらに表示
7-ニトロ-9-オキソ-9H-フルオレン-4-カルボン酸7-nitro-9-fluorenone-4-carboxylicacid7-nitro-9-oxo-9h-fluorene-4-carboxylicaci
SCHEMBL503711CHEMBL1882683DTXSID90195313NSC116739AKOS015894266NSC 116739NSC-116739SMR001574079
データベース識別子
- CAS
42523-38-6- PubChem CID
- 97345
- DTXSID
DTXSID90195313- ChEMBL
CHEMBL1882683- EC Number
- 630-999-4
- Nikkaji
- J308.227J
物性
構造計算による物性
- XLogP
- 2.3
- 極性表面積
- 100 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 5
- 回転可能結合数
- 1
- 重原子数
- 20
- 形式電荷
- 0
- 複雑度
- 457
物理化学的性質
- 融点
- 269 · 269-270 °C(lit.)
- 沸点
- 561.6 · 561.6±43.0 °C(Predicted)
- 比重(密度)
- 1.591 · 1.591±0.06 g/cm3(Predicted)
- 酸解離定数(Pka)
- 3.05 · 3.05±0.20(Predicted)
安全と法規制
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 (100%): 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 39 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 CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)
安全データ
- wgk
- 3
- rtecs
- LL6805000
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
化学と産業
サプライヤー1 社
天津希恩思生化科技有限公司400 638 7771 · [email protected]
関連反応
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化合物ノート
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