메틸3-히드록시-4-((트리메틸실릴)에티닐)벤조에이트

Methyl 3-hydroxy-4-[2-(trimethylsilyl)ethynyl]benzoate

HCID 22481756

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 478169-68-5
표준 SMILES: COC(=O)c1ccc(C#C[Si](C)(C)C)c(O)c1
InChIKey: IGKWQEJDFVUAME-UHFFFAOYSA-N
분자식: C13H16O3Si
평균 분자량: 248.35 g/mol
단동위원소 질량: 248.0868709

이름 및 식별자

우선 이름: Methyl 3-hydroxy-4-[2-(trimethylsilyl)ethynyl]benzoate
IUPAC: methyl 3-hydroxy-4-(2-trimethylsilylethynyl)benzoate
현지명: 메틸3-히드록시-4-((트리메틸실릴)에티닐)벤조에이트
영어명: Methyl 3-hydroxy-4-((triMethylsilyl)ethynyl)benzoate
분자식: C13H16O3Si
분자량: 248.35

이름 및 동의어

478169-68-5methyl 3-hydroxy-4-[2-(trimethylsilyl)ethynyl]benzoatemethyl 3-hydroxy-4-(2-(trimethylsilyl)ethynyl)benzoateRefChem:815497963-467-8Methyl 3-hydroxy-4-((trimethylsilyl)ethynyl)benzoateMFCD27959379methyl 3-hydroxy-4-(2-trimethylsilylethynyl)benzoatemethyl 3-hydroxy-4-[(trimethylsilyl)ethynyl]benzoateB8EQ7AQV2RSCHEMBL5229457IGKWQEJDFVUAME-UHFFFAOYSA-N

이름 더 보기

메틸3-히드록시-4-((트리메틸실릴)에티닐)벤조에이트Lifitegrast Impurity 94Propanoicacid,6-methoxy-3-Hydroxy-4-((trimethylsilyl)ethynyl)benzoic acid methyl esterMethyl 3-hydroxy-4-((trimethylsilyl)ethynyl)benzoate - [M56992]Benzoic acid, 3-hydroxy-4-[2-(trimethylsilyl)ethynyl]-, methyl ester

SC5125AKOS025146741DS-8813DA-32683CS-0187491EN300-157235F464707Methyl3-hydroxy-4-((trimethylsilyl)ethynyl)benzoate

데이터베이스 식별자

CAS: 478169-68-5
PubChem CID: 22481756
UNII: B8EQ7AQV2R
EC Number: 963-467-8

물성

구조 계산 물성

극성 표면적: 46.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 4
무거운 원자 수: 17
형식 전하: 0
복잡도: 345

물리화학적 성질

끓는 점: 332.2 · 332.2±42.0 °C(Predicted)
밀도: 1.1 · 1.10±0.1 g/cm3(Predicted)
저장 조건: Inert atmosphere,Room Temperature
산도 계수 (pKa): 8.8 · 8.80±0.40(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+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.