메틸2-하이드록시-4-페닐메톡시-벤조에이트

Methyl 4-(benzyloxy)-2-hydroxybenzoate

HCID 225489CAS 5427-29-2

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: COC(=O)c1ccc(OCc2ccccc2)cc1O
InChIKey: PHYPTZODBQEMJU-UHFFFAOYSA-N
분자식: C15H14O4
평균 분자량: 258.27 g/mol
단동위원소 질량: 258.08920892

이름 및 식별자

우선 이름: Methyl 4-(benzyloxy)-2-hydroxybenzoate
IUPAC: methyl 2-hydroxy-4-phenylmethoxybenzoate
현지명: 메틸2-하이드록시-4-페닐메톡시-벤조에이트
영어명: methyl 2-hydroxy-4-phenylmethoxy-benzoate
분자식: C15H14O4
분자량: 258.27

이름 및 동의어

methyl 4-(benzyloxy)-2-hydroxybenzoate5427-29-2DTXSID90279980RefChem:815989DTXCID40231134856-888-2methyl 2-hydroxy-4-phenylmethoxybenzoateMFCD01098916METHYL 2-HYDROXY-4-PHENYLMETHOXY-BENZOATE2-hydroxy-4-(phenylmethoxy)benzoic acid methyl estermethyl 4-benzyloxy-2-hydroxybenzoate4-(Benzyloxy)salicyclic Acid Methyl Ester; 4-Benzyloxy-2-hydroxybenzoic Acid Methyl Ester; Methyl 2-Hydroxy-4-benzyloxybenzoate; Methyl 4-Benzyloxy-2-hydroxybenzoate; NSC 14990;

이름 더 보기

메틸2-하이드록시-4-페닐메톡시-벤조에이트JR-13546, Methyl 4-(benzyloxy)-2-hydroxybenzoate, 95%Benzoic acid, 2-hydroxy-4-(phenylmethoxy)-, methyl esterMETHYL 2-HYDROXY-4-PHENYLMETHOXY-BENZOATEMETHYL 2-HYDROXY-4-PHENYLMETHOXY-BENZOATE

NSC14990SCHEMBL629952PHYPTZODBQEMJU-UHFFFAOYSA-NMethyl 2-hydroxy-4-benzyloxybenzoateNSC-14990AKOS024355319methyl 4-benzyloxy-2-hydroxy-benzoatemethyl4-(benzyloxy)-2-hydroxybenzoate

데이터베이스 식별자

CAS: 5427-29-2
PubChem CID: 225489
DTXSID: DTXSID90279980
EC Number: 856-888-2
Nikkaji: J2.452.768I

물성

구조 계산 물성

XLogP: 3.4
극성 표면적: 55.8 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 5
무거운 원자 수: 19
형식 전하: 0
복잡도: 286

물리화학적 성질

녹는점: 102 · 102-104 °C
끓는 점: 404.8 · 404.8±30.0 °C(Predicted)
밀도: 1.227 · 1.227±0.06 g/cm3(Predicted)
용해도: 클로로포름, 아세톤에 용해됨
산도 계수 (pKa): 9.38 · 9.38±0.10(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

안전 데이터

신호 어: Warning
유해·위험 문구: 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H302

화학 및 산업

응용 분야

용도2-Hydroxy-4-(phenylmethoxy)benzoic Acid Methyl Ester is an intermediate used in the synthesis of 4-Hydroxy Flecainide (H942485), which is an analogue of Flecainide (F390000).