2-인다닐아세트산

2-(2,3-dihydro-1H-inden-2-yl)acetic Acid

HCID 5174955

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 37868-26-1
표준 SMILES: O=C(O)CC1Cc2ccccc2C1
InChIKey: TULDPXYHBFBRGW-UHFFFAOYSA-N
분자식: C11H12O2
평균 분자량: 176.21 g/mol
단동위원소 질량: 176.08372962

이름 및 식별자

우선 이름: 2-(2,3-dihydro-1H-inden-2-yl)acetic Acid
IUPAC: 2-(2,3-dihydro-1H-inden-2-yl)acetic acid
현지명: 2-인다닐아세트산
영어명: 2-Indanylacetic acid
분자식: C11H12O2
분자량: 176.21

이름 및 동의어

37868-26-12-(2,3-dihydro-1H-inden-2-yl)acetic AcidDTXSID10409166RefChem:1060732DTXCID803600182-INDANYLACETIC ACIDINDAN-2-YL-ACETIC ACIDMFCD00082653Indan-2-ylacetic acid2,3-DIHYDRO-1H-INDENE-2-ACETIC ACID1H-INDENE-2-ACETIC ACID, 2,3-DIHYDRO-2-indaneacetic acid

이름 더 보기

2-인다닐아세트산2,3-dihydro-1H-inden-1-ylacetic acid

2,3-dihydro-1H-inden-2-ylacetic acid2-indan-2-ylacetic acidindan-2-acetic acidindan-2-yl acetic acid(indan-2-yl)acetic acid2-(indan-2-yl)acetic acidIndan-2-ylacetic acid 98%SCHEMBL1340255

데이터베이스 식별자

CAS: 37868-26-1
PubChem CID: 5174955
DTXSID: DTXSID10409166
EC Number: 670-419-7

물성

구조 계산 물성

XLogP: 2
극성 표면적: 37.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 13
형식 전하: 0
복잡도: 186

물리화학적 성질

녹는점: 91 · 91-93°C
끓는 점: 344.5 · 344.5±11.0 °C(Predicted)
밀도: 1.169 · 1.169±0.06 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
산도 계수 (pKa): 4.7 · 4.70±0.10(Predicted)
수용성: 물에 불용성.
BRN: 2616409 · 2616409

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

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, 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 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.