Diethyl p-aminobenzylphosphonate

HCID 88358CAS 20074-79-7

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CCOP(=O)(Cc1ccc(N)cc1)OCC
InChIKey: ZVAYUUUQOCPZCZ-UHFFFAOYSA-N
분자식: C11H18NO3P
평균 분자량: 243.24 g/mol
단동위원소 질량: 243.10243007

개요

See other relationships...

이름 및 식별자

우선 이름: Diethyl p-aminobenzylphosphonate
IUPAC: 4-(diethoxyphosphorylmethyl)aniline
영어명: Diethyl 4-aminobenzylphosphonate
분자식: C11H18NO3P
분자량: 243.24

이름 및 동의어

Diethyl p-aminobenzylphosphonateRefChem:587270243-504-8Diethyl 4-aminobenzylphosphonate20074-79-74-(diethoxyphosphorylmethyl)anilineDiethyl (4-aminobenzyl)phosphonatePhosphonic acid, P-[(4-aminophenyl)methyl]-, diethyl esterp-Aminobenzylphosphonic acid diethyl esterPhosphonic acid, p-aminobenzyl-, diethyl esterDiethyl (p-aminobenzyl)phosphonateMFCD00007913

이름 더 보기

4-(diethylphosphonomethyl)aniline4-AMINOBENZYL DIETHYL PHOSPHONATE4-Aminobenzyldiethoxyphosphine oxide4-[(Diethoxyphosphoryl)methyl]anilinep-aminobenzyl-phosphonicacidiethylesterp-aminobenzylphosphonicaciddiethylesterDiethyl(4-aminobenzyl)phosphonate, 98 %

Phosphonic acid, [(4-aminophenyl)methyl]-, diethyl esterC11H18NO3Pdiethyl [(4-aminophenyl)methyl]phosphonatePhosphonic acid, ((4-aminophenyl)methyl)-, diethyl ester[(4-aminophenyl)methyl]diethoxyphosphino-1-oneEINECS 243-504-8NSC 84194Timtec-Bb Sbb000830

데이터베이스 식별자

CAS: 20074-79-7
PubChem CID: 88358
DTXSID: DTXSID70173896
ChEMBL: CHEMBL1818155
EC Number: 243-504-8
Nikkaji: J50.270G

물성

구조 계산 물성

XLogP: 1
극성 표면적: 61.6 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 6
무거운 원자 수: 16
형식 전하: 0
복잡도: 229

물리화학적 성질

녹는점: 90 · 90-94 °C(lit.)
끓는 점: 383.3 · 383.3±25.0 °C(Predicted)
밀도: 1.153 · 1.153±0.06 g/cm3(Predicted)
저장 조건: 2 · Storage temp. 2-8°C
물리적 상태: 결정 또는 결정성 분말
산도 계수 (pKa): 4.51 · 4.51±0.10(Predicted)
색상: 베이지부터 연한 브라운까지
수용성: 염화메틸렌, 아세톤, 벤젠에 용해됩니다. 물에 불용성.
BRN: 2941613 · 2941613

화학적 성질

beige to light brown crystals or cryst. powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
rtecs: SZ6480000
HS 번호: 29199000
safety_code: 22-24/25
F 고인화성물질: 10

화학 및 산업

응용 분야

용도Diethyl 4-aminobenzylphosphonate is used as a reagent in the preparation of [4-(tetradecanoylamino)benzyl]phosphonic acid. It is also used in the production of diethyl p-benzoylaminobenzylphosphonate.