Dibenzyl phosphate

HCID 74189

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 1623-08-1
표준 SMILES: O=P(O)(OCc1ccccc1)OCc1ccccc1
InChIKey: HDFFVHSMHLDSLO-UHFFFAOYSA-N
분자식: C14H15O4P
평균 분자량: 278.24 g/mol
단동위원소 질량: 278.07079559

개요

Dibenzyl phosphate is a dialkyl phosphate.

이름 및 식별자

우선 이름: Dibenzyl phosphate
IUPAC: dibenzyl hydrogen phosphate
영어명: Dibenzyl phosphate
분자식: C14H15O4P
분자량: 278.24

이름 및 동의어

Dibenzyl phosphateDibenzyl hydrogen phosphate1623-08-1DTXSID1033402DTXCID9013402EINECS 216-602-3RefChem:586443Phosphoric Acid Dibenzyl EsterDibenzylphosphoric acidPhosphoric acid, bis(phenylmethyl) esterMFCD00004775C14H15O4P

이름 더 보기

SKL257DibenzylPhosphate>Dibenzyl phosphate,98%Dibenzyl phosphate 99%Dibenzyl phosphate, 97%Phosphoric acid dibenzyl

UNII-Y65R35LZ0SPhosphoric acid, dibenzyl esterFosaprepitant Impurity Nbis(benzyloxy)phosphinic acidSCHEMBL51316Y65R35LZ0STox21_201050CS-W008704

데이터베이스 식별자

CAS: 1623-08-1
PubChem CID: 74189
DTXSID: DTXSID1033402
ChEMBL: CHEMBL1576902
ChEBI: CHEBI:166472
UNII: Y65R35LZ0S
EC Number: 216-602-3
Nikkaji: J80.264F

물성

구조 계산 물성

XLogP: 2
극성 표면적: 55.8 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 6
무거운 원자 수: 19
형식 전하: 0
복잡도: 270

물리화학적 성질

녹는점: 78 · 78-80 °C (lit.)
끓는 점: 427.6 · 427.6±48.0 °C(Predicted)
밀도: 1.28 · 1.280±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
용해도: 클로로포름(약간 용해됨), 아세트산에틸(약간 용해됨, 가열), 메탄올(약간 용해됨)
물리적 상태: 가루
산도 계수 (pKa): 1.53 · 1.53±0.50(Predicted)
색상: 흰색에서 약간 노란색
BRN: 2055755 · 2055755
안정성: 수분에 민감한
InChI: InChI=1S/C14H15O4P/c15-19(16,17-11-13-7-3-1-4-8-13)18-12-14-9-5-2-6-10-14/h1-10H,11-12H2,(H,15,16)
InChIKey: HDFFVHSMHLDSLO-UHFFFAOYSA-N
SMILES: P(O)(OCC1=CC=CC=C1)(OCC1=CC=CC=C1)=O

화학적 성질

white to slightly yellow powder

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 20% (1 of 5) of reports.

Danger

H315 (60%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, 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 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 2건

Hazard Traits - Hazard Trait Undefined

Status: Cease Manufacture Update: 18-07-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/19980

Hazard Classes and CategoriesSkin Irrit. 2 (60%)

안전 데이터

wgk: 3
HS 번호: 29199000
safety_code: 22-24/25
Hazard Classifications: Eye Dam. 1
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 1건

용도Dibenzyl phosphate (DBzP) can be used: To promote the monoselective ortho-C-H alkylation of N-quinolyl benzamides with primary and secondary alkyl iodides. For the ring-opening reaction of epoxide such as benzylglycidol to synthesize dihydroxyacetone phosphate (DHAP). As a reactant for the synthesis of stereospecific 1,2-trans glycosyl phosphates.