Diethyl 4-nitrobenzylphosphonate

HCID 256065

노트 반응

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기본 정보

CAS: 2609-49-6
표준 SMILES: CCOP(=O)(Cc1ccc([N+](=O)[O-])cc1)OCC
InChIKey: FORMFFDDQMCTCT-UHFFFAOYSA-N
분자식: C11H16NO5P
평균 분자량: 273.22 g/mol
단동위원소 질량: 273.07660924

개요

structure in first source

이름 및 식별자

우선 이름: Diethyl 4-nitrobenzylphosphonate
IUPAC: 1-(diethoxyphosphorylmethyl)-4-nitrobenzene
영어명: Diethyl(4-nitrobenzyl)phosphonate
분자식: C11H16NO5P
분자량: 273.22

이름 및 동의어

Diethyl 4-nitrobenzylphosphonateRefChem:9201532609-49-6diethyl(4-nitrobenzyl)phosphonateDiethyl (4-nitrobenzyl)phosphonate1-(diethoxyphosphorylmethyl)-4-nitrobenzeneMFCD00047747phosphonic acid, P-[(4-nitrophenyl)methyl]-, diethyl ester1-(diethoxyphosphorylmethyl)-4-nitro-benzeneSCHEMBL78561diethyl p-nitrobenzylphosphonatediethyl p-nitrobenzyl-phosphonate

이름 더 보기

NSC 82303Diethyl (4DIETHYL (P-NITROBENZYL)PHOSPHONATEO,O-Diethyl (4-nitrobenzyl)phosphonateDiethyl(4-nitrobenzyl)phosphonate, 98 %4-[(Diethoxyphosphoryl)methyl]nitrobenzene4-Nitrobenzylphosphonic acid diethyl esterDiethyl (4-nitrobenzyl)phosphonate, 98% 5GR

(4-Nitrobenzyl)phosphonic Acid Diethyl Ester(p-nitrobenzyl)-phosphonic acid diethyl esterdiethyl (4-nitrophenyl)methylphosphonatediethyl (4-niNSC82303Phosphonic acid, [(4-nitrophenyl)methyl]-, diethyl esterdiethyl [(4-nitrophenyl)methyl]phosphonatediethyl-4-nitrobenzylphosphonate

데이터베이스 식별자

CAS: 2609-49-6
PubChem CID: 256065
DTXSID: DTXSID80292406
EC Number: 803-535-5
Nikkaji: J154.013K

물성

구조 계산 물성

XLogP: 1.5
극성 표면적: 81.4 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 5
회전 가능 결합 수: 6
무거운 원자 수: 18
형식 전하: 0
복잡도: 299

물리화학적 성질

끓는 점: 151 °C · 151 °C (0.1 mmHg)
밀도: 1.24 · 1.24
굴절률: 1.522 · 1.522-1.526
저장 조건: Sealed in dry,Room Temperature
물리적 상태: 액체
색상: 투명한 노란색-주황색에서 진한 빨간색까지
InChI: InChI=1S/C11H16NO5P/c1-3-16-18(15,17-4-2)9-10-5-7-11(8-6-10)12(13)14/h5-8H,3-4,9H2,1-2H3
InChIKey: FORMFFDDQMCTCT-UHFFFAOYSA-N
SMILES: P(CC1=CC=C([N+]([O-])=O)C=C1)(=O)(OCC)OCC

화학적 성질

clear slightly viscous yellow-orange to dark red

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 3 (100%)

안전 데이터

wgk: 3
ridadr: UN 2810 6.1 / PGIII
HS 번호: 29319090
risk_code: 25
hazard_code: T
safety_code: 24/25-45
Hazard Classifications: Acute Tox. 3 Oral
스토리지 클래스: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects