4-Nitrophenyl chloroformate (HCID 82129)

名称と識別子

優先名称: 4-Nitrophenyl chloroformate
IUPAC: (4-nitrophenyl) carbonochloridate
現地名: クロロぎ酸4-ニトロフェニル
英語名: 4-Nitrophenyl chloroformate
分子式: C7H4ClNO4
分子量: 201.56

名称と別名

4-Nitrophenyl chloroformate7693-46-14-Nitrophenyl carbonochloridateChloroformic acid 4-nitrophenyl esterCarbonochloridic acid, 4-nitrophenyl esterp-Nitrophenyl chloroformate(4-nitrophenyl) carbonochloridateChloroformic acid p-nitrophenyl esterMFCD000073214-nitrophenol chloroformateFormic acid, chloro-, p-nitrophenyl ester(4-nitrophenyl) chloroformate

名称をさらに表示

クロロぎ酸4-ニトロフェニルクロリド炭酸4-ニトロフェニルクロロギ酸=4-ニトロフェニル4-ニトロフェノキシぎ酸クロリドクロロぎ酸p-ニトロフェニル4-ニトロフェニル=クロロホルマート1-[(クロロカルボニル)オキシ]-4-ニトロベンゼン4ニトロフェニルクロロフォ-メ-ト4-ニトロフェニルクロロホルマート４ニトロフェニル＝クロロホルマトクロロ蟻酸4-ニトロフェニルクロロぎ酸4‐ニトロフェニルクロロ炭酸4-ニトロフェニル4-ニトロフェニル=クロロホルマート, 97%クロロぎ酸(4-ニトロフェニル)4-ニトロフェニルカルボノクロリダートクロロメタン酸4-ニトロフェニルPNPCFNitrophenyl chloroforMatePARA-NITROPHENYL CHLOROFORMATE4-Nitrophenyl chloridocarbonate4-NITROPHENYL CHLOROCARBONATEp-Nitrophenyl c

EINECS 231-706-9AI3-52204p-nitrophenylchloroformate4-nitrophenyl choroformate4-nitrophenyl chioroformatep-nitro-phenyl chloroformate(4-nitrophenyl)chloroformate4-nitro-phenyl chloroformate

データベース識別子

CAS: 7693-46-1
PubChem CID: 82129
DTXSID: DTXSID3064772
EC Number: 231-706-9
Nikkaji: J249F

物性

構造計算による物性

XLogP: 2.6
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: 13
形式電荷: 0
複雑度: 207

実験および物理化学的性質

Chemical ClassesToxic Gases & Vapors -> Acid Halides

Physical DescriptionCream crystals with an acrid odor; [Alfa Aesar MSDS]

物理化学的性質

融点: 77 · 77-79 °C(lit.)
沸点: 159 · 159-162 °C19 mm Hg(lit.)
比重(密度): 1.5719 · 1.5719 (rough estimate)
屈折率: 1.6 · 1.6000 (estimate)
闪点: 110 °C · >110°C
貯蔵温度: 2 · 2-8°C
溶解性: アセトン、クロロホルム、アセトン、トルエン、ベンゼンに可溶。
外見: イソプロパノール懸濁液
色: ホワイト～イエローベージュ
水溶解度: 分解する
BRN: 518127 · 518127
安定性: 安定。強塩基、酸とは相容れない。可燃性。
主な用途: ペプチド合成
InChI: 1S/C7H4ClNO4/c8-7(10)13-6-3-1-5(2-4-6)9(11)12/h1-4H
InChIKey: NXLNNXIXOYSCMB-UHFFFAOYSA-N
SMILES: [O-][N+](=O)c1ccc(OC(Cl)=O)cc1
CAS データベース: 7693 · 7693-46-1(CAS DataBase Reference)
NISTの化学物質情報: 4 · Carbonochloridic acid, 4-nitrophenyl ester(7693-46-1)
EPAの化学物質情報: 4 · Carbonochloridic acid, 4-nitrophenyl ester (7693-46-1)

化学的性質

化学的特性Cream solid

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H314 (96.8%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 62 reports by companies from 16 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 2 件

Status: Active Update: 09-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/24548

4-Nitrophenyl chloroformate: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryReacts with water; Causes burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; Harmful by ingestion and inhalation; [Alfa Aesar MSDS] See CHLOROFORMATES.

Hazard Classes and CategoriesSkin Corr. 1B (96.8%)

毒性情報

Adverse EffectsDermatotoxin - Skin burns.

安全データ

F: 19-21
wgk: 3
tsca: TSCA listed
ridadr: UN 3261 8/PG 2
hs_code: 29159020
risk_code: 34-36/37-23/24/25-41-36/37/38-11-67-36
化審法: (3)-4192
hazard_code: C,T,Xi,F
hazard_note: Toxic/Corrosive/Lachrymator
safety_code: 26-36/37/39-45-38-28A-36-16-27
hazard_class: 8
packing_group: II
Hazard Classifications: Eye Dam. 1Skin Corr. 1BSTOT SE 3
ストレージクラス: 8A - Combustible corrosive hazardous materials

化学と産業

用途と製造

General Manufacturing InformationCarbonochloridic acid, 4-nitrophenyl ester: ACTIVE

応用分野 · 3 件

用途有機合成用原料。

使用4-Nitrophenyl chloroformate is used in the synthesis of poly(oxyethylene) modified dextrans. It is also used to prepare a cleavable, heterobifunctional cross-linker for reversible conjugation of amines to thiol-modified DNA. Further, it is used in the synthesis of mixed, activated carbonates, thiocarbonates and activated urethanes. In addition to this, it is used in the preparation of 4-nitrophenyl diazoacetate with diazomethane. It is an ester of chloroformic acid used in the immobilization of enzymes and other biomolecules.

説明4-Nitrophenyl chloroformate, also known as p-nitrophenyl chloroformate, is a coupling agent used in the synthesis of ureas, carbamates, and carbonates. It is also used as a building block in solid-phase peptide synthesis (SPPS) to obtain altered side chain functionalities in peptides.