ジクロリドりん酸p-ニトロフェニル

Phosphorodichloridic acid, 4-nitrophenyl ester

HCID 69898CAS 777-52-6

部分構造検索類似構造を探す

基本情報

標準SMILES: O=[N+]([O-])c1ccc(OP(=O)(Cl)Cl)cc1
InChIKey: NCPBESHYZRJICR-UHFFFAOYSA-N
分子式: C6H4Cl2NO4P
平均分子量: 255.98 g/mol
単同位体質量: 254.9255

名称と識別子

優先名称: Phosphorodichloridic acid, 4-nitrophenyl ester
IUPAC: 1-dichlorophosphoryloxy-4-nitrobenzene
現地名: ジクロリドりん酸p-ニトロフェニル
英語名: 4-Nitrophenyl phosphorodichloridate
分子式: C6H4Cl2NO4P
分子量: 255.98

名称と別名

4-Nitrophenyl phosphorodichloridate777-52-6Phosphorodichloridic acid, 4-nitrophenyl esterp-Nitrophenyl phosphorodichloridateEINECS 212-289-2DTXSID80611314-Nitrophenylphosponic dichlorideRefChem:173862DTXCID2047987NCPBESHYZRJICR-UHFFFAOYSA-NC6H4Cl2NO4P1-dichlorophosphoryloxy-4-nitrobenzene

名称をさらに表示

ジクロロ(4-ニトロフェノキシ)ホスフィンオキシドジクロリドりん酸p-ニトロフェニルジクロリドりん酸4-ニトロフェニルジクロロホスフィン酸4-ニトロフェニルジクロロホスフィン酸=p-ニトロフェニル4-ニトロフェニルホスホロジクロリダート4-ニトロフェニルクロロホスホノクロリダートphosphorodichLp-Nitrophenyl dichlorophosphate4-nitrophenyl dichlorophosphonate4-Nitrophenylphosphonicdichloride4-Nitrophenyl phosphoryldichlorideDichloridophosphoric Acid P-Nitrop4-Nitrophenylphosphorodichloridate,97%

4-Nitrophenyl dichlorophosphateMFCD000073151-dichlorophosphoryloxy-4-nitro-benzenePhosphorodichloridic acid, p-nitrophenyl esterSCHEMBL8514314-O2NC6H4OP(O)Cl242G6E3UCT84-Nitrophenyl dichloridophosphate #

データベース識別子

CAS: 777-52-6
PubChem CID: 69898
DTXSID: DTXSID8061131
UNII: 42G6E3UCT8
EC Number: 212-289-2
Nikkaji: J102C

物性

構造計算による物性

XLogP: 2.8
極性表面積: 72.1 Å²
水素結合供与体数: 0
水素結合受容体数: 4
回転可能結合数: 2
重原子数: 14
形式電荷: 0
複雑度: 255

物理化学的性質

融点: 44 · 44-45 °C (lit.)
沸点: 182 · 182-183 °C/13 mmHg (lit.)
比重(密度): 1.644 · 1.644
闪点: 230 °F · >230 °F
貯蔵温度: 2 · 2-8°C
溶解性: Chloroform (Slightly)
外見: 個体
BRN: 1468239 · 1468239
安定性: Hygroscopic, Moisture Sensitive
InChI: InChI=1S/C6H4Cl2NO4P/c7-14(8,12)13-6-3-1-5(2-4-6)9(10)11/h1-4H
InChIKey: NCPBESHYZRJICR-UHFFFAOYSA-N
SMILES: P(Cl)(Cl)(OC1=CC=C([N+]([O-])=O)C=C1)=O
EPAの化学物質情報: 4 · Phosphorodichloridic acid, 4-nitrophenyl ester (777-52-6)

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H318 (97.4%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, 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

Regulatory InformationPhosphorodichloridic acid, 4-nitrophenyl ester: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Corr. 1B (100%)；Eye Dam. 1 (97.4%)

法規制情報

Regulatory InformationPhosphorodichloridic acid, 4-nitrophenyl ester: Does not have an individual approval but may be used under an appropriate group standard