4-Nitrophenyl chloroformate

HCID 82129CAS 7693-46-1
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
O=C(Cl)Oc1ccc([N+](=O)[O-])cc1
InChIKey
NXLNNXIXOYSCMB-UHFFFAOYSA-N
분자식
C7H4ClNO4
평균 분자량
201.56 g/mol
단동위원소 질량
200.98288529

이름 및 식별자

우선 이름
4-Nitrophenyl chloroformate
IUPAC
(4-nitrophenyl) carbonochloridate
영어명
4-Nitrophenyl chloroformate
분자식
C7H4ClNO4
분자량
201.56

이름 및 동의어

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
이름 더 보기
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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP
2.6
극성 표면적
72.1 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
4
회전 가능 결합 수
2
무거운 원자 수
13

실험 및 물리화학적 성질

Chemical ClassesToxic Gases & Vapors -> Acid Halides
Physical DescriptionCream crystals with an acrid odor; [Alfa Aesar MSDS]

물리화학적 성질

녹는점
77 · 77-79 °C(lit.)
끓는 점
159 · 159-162 °C19 mm Hg(lit.)
밀도
1.5719 · 1.5719 (rough estimate)
굴절률
1.6 · 1.6000 (estimate)
인화점
110 °C · >110°C
저장 조건
2 · 2-8°C

화학적 성질

Cream solid

안전 및 규제

GHS 분류

GHS Classification · 4건

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.

유해성 정보

Regulatory Information · 2건

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%)

독성 정보

Adverse EffectsDermatotoxin - Skin burns.

안전 데이터

wgk
3
tsca
TSCA listed
ridadr
UN 3261 8/PG 2
HS 번호
29159020
risk_code
34-36/37-23/24/25-41-36/37/38-11-67-36
hazard_code
C,T,Xi,F

화학 및 산업

용도 및 제조

General Manufacturing InformationCarbonochloridic acid, 4-nitrophenyl ester: ACTIVE
응용 분야 · 2건

용도4-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.

개요4-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.

상·하류 제품 정보

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
河南斯维茵医药科技有限责任公司13072124697 18837373888
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

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