Diethyl (2,2-diethoxyethyl)phosphonate

HCID 82071CAS 7598-61-0

기본 정보

표준 SMILES: CCOC(CP(=O)(OCC)OCC)OCC
InChIKey: LUQYELQXRPNKRY-UHFFFAOYSA-N
분자식: C10H23O5P
평균 분자량: 254.26 g/mol
단동위원소 질량: 254.12831047

이름 및 식별자

우선 이름: Diethyl (2,2-diethoxyethyl)phosphonate
IUPAC: 2-diethoxyphosphoryl-1,1-diethoxyethane
영어명: Diethyl 2,2-diethoxyethylphosphonate
분자식: C10H23O5P
분자량: 254.26

이름 및 동의어

Diethyl (2,2-diethoxyethyl)phosphonateEINECS 231-504-0NSC 77101DTXSID20226881NSC 407851RefChem:586996DTXCID50149372231-504-07598-61-0Diethyl 2,2-diethoxyethylphosphonatediethyl(2,2-diethoxyethyl)phosphonateDiethyl 2,2-Diethoxethylphosphonate

이름 더 보기

AURORA KA-1450LABOTEST-BB LT01148150Diethyl 2,2-diethoxyethylDIETHYL-2,2-DIETHOXYETHYLPHOSPONATEDIETHYL 2,2-DIETHOXY-ETHANEPHOSPHONATEDiethyl2,2-Diethoxyethylphosphonate>

2-diethoxyphosphoryl-1,1-diethoxyethaneMFCD00009236Diethylphosphonoacetaldehyde Diethyl AcetalDiethyl phosphonacetaldehyde diethyl acetalCHEMBL1050792,2-Diethoxyethylphosphonic Acid Diethyl EsterNSC-77101NSC-407851

데이터베이스 식별자

CAS: 7598-61-0
PubChem CID: 82071
DTXSID: DTXSID20226881
ChEMBL: CHEMBL105079
UNII: KS6N6SP2MG
EC Number: 231-504-0
Nikkaji: J307.892B

물성

구조 계산 물성

XLogP: 0.7
극성 표면적: 54 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 5
회전 가능 결합 수: 10
무거운 원자 수: 16
형식 전하: 0
복잡도: 193

실험 및 물리화학적 성질

SpringerMaterials PropertiesChemical shift

LogP0.69

물리화학적 성질

끓는 점: 146 · 146-149 °C14 mm Hg(lit.)
밀도: 1.052 g/mL · 1.052 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.430(lit.)
인화점: 230 °F · >230 °F
저장 조건: 2 · 2-8°C
용해도: 클로로포름, 디클로로메탄에 용해됨
물리적 상태: 기름
색상: 무색
수용성: 클로로포름과 디클로로메탄에 용해됩니다. 물에 섞이거나 혼합하기 어렵지 않습니다.
BRN: 1785614 · 1785614
InChI: 1S/C10H23O5P/c1-5-12-10(13-6-2)9-16(11,14-7-3)15-8-4/h10H,5-9H2,1-4H3
InChIKey: LUQYELQXRPNKRY-UHFFFAOYSA-N
SMILES: CCOC(CP(=O)(OCC)OCC)OCC

화학적 성질

Colourless Oil

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 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.