CAS 87460-09-1 Benzyl [hydroxy-(4-phenylbutyl)phosphinyl] acetate (HCID 13187470)

기본 정보

CAS: 87460-09-1
표준 SMILES: O=C(CP(=O)(O)CCCCc1ccccc1)OCc1ccccc1
InChIKey: GVDMCYBWLREELG-UHFFFAOYSA-N
분자식: C19H23O4P
평균 분자량: 346.4 g/mol
단동위원소 질량: 346.13339585

이름 및 식별자

우선 이름: Benzyl [hydroxy-(4-phenylbutyl)phosphinyl] acetate
IUPAC: (2-oxo-2-phenylmethoxyethyl)-(4-phenylbutyl)phosphinic acid
현지명: 벤질하이드록시(4-페닐부틸)포스피노일아세테이트
영어명: Benzyl hydroxy(4-phenylbutyl)phosphinoylacetate
분자식: C19H23O4P
분자량: 346.36

이름 및 동의어

BENZYL [HYDROXY-(4-PHENYLBUTYL)PHOSPHINYL] ACETATEEC 416-050-5benzyl (hydroxy-(4-phenylbutyl)phosphinyl) acetateRefChem:566545416-050-587460-09-1Benzyl hydroxy(4-phenylbutyl)phosphinoylacetate(2-(Benzyloxy)-2-oxoethyl)(4-phenylbutyl)phosphinic acidBenzyl Hydroxy(4-phenylbutyl)phosphinoacetate(2-oxo-2-phenylmethoxyethyl)-(4-phenylbutyl)phosphinic acidMFCD09033183[2-(Benzyloxy)-2-oxoethyl](4-phenylbutyl)phosphinic acid

이름 더 보기

벤질하이드록시(4-페닐부틸)포스피노일아세테이트[hydroxy-(4-phenylbutyl)phosphinyl]acetic acid phenylmethyl esterBenzyl hydroxy(4-phe[Hydroxyl-(4-Butylbenzene)Fosinopril intermediate AAHYDROXYL(4-PHENYLBUTYL)PHOSPHINYL]BENZYL ACETATEHYDROXYL(4-PHENYLBUTYL)PJOSPHINYL]BENZYL ACETATEBenzyl 2-[hydroxy(4-phenylbutyl)phosphinyl]acetate

(2-(Benzyloxy)-2-oxoethyl)-(4-phenylbutyl)phosphinic acidBENZYL [HYDROXY-(4-PHENYL-BUTYL)-PHOSPHINOYL]-ACETATE[Hydroxy(4-phenylbutyl)phosphinyl]acetic acid, phenylmethyl ester2-[Hydroxy(4-phenylbutyl)phosphinyl]acetic Acid 1-(Phenylmethyl) EsterC19H23O4P2-(BENZYLOXY)-2-OXOETHYL(4-PHENYLBUTYL)PHOSPHINIC ACIDAcetic acid, [hydroxy(4-phenylbutyl)phosphinyl]-, phenylmethyl ester(2-(Benzyloxy)-2-oxoethyl)(4-phenylbutyl)phosphinicacid

물성

구조 계산 물성

XLogP: 3
극성 표면적: 63.6 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 10
무거운 원자 수: 24
형식 전하: 0
복잡도: 412

물리화학적 성질

녹는점: 65 · 65-67°C
끓는 점: 581.6 · 581.6±43.0 °C(Predicted)
밀도: 1.191 · 1.191±0.06 g/cm3(Predicted)
저장 조건: 2 · Sealed in dry,2-8°C
용해도: 에틸아세테이트, 메탄올에 용해됨
물리적 상태: 고체
산도 계수 (pKa): 2.52 · 2.52±0.50(Predicted)
색상: 하얀색

화학적 성질

White Solid

안전 및 규제

GHS 분류

GHS Classification · 6건

Danger

H318: Causes serious eye damage [Danger Serious eye damage/eye irritation]

P264+P265, P280, P305+P354+P338, and P317 (click each P-code to see the statement)

Danger

H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P264+P265, P280, P305+P354+P338, and P317 (click each P-code to see the statement)

유해성 정보

Regulatory InformationStatus: Active Update: 09-12-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/14004

Hazard Classes and Categories · 3건

Eye Dam. 1 (100%)

Eye damage - category 1

Eye Dam. 1

안전 데이터

risk_code: 41
hazard_code: Xi
safety_code: 26-36/39

화학 및 산업

응용 분야

용도Intermediate in the synthesis of angiotensin and fosinopril. Impurity in the preparation of Fosinopril Sodium.

공급사60 곳

Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]

艾吉析科技（上海）有限公司17717235263 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

화합물 노트

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벤질하이드록시(4-페닐부틸)포스피노일아세테이트