Ethyl 3-indolylglyoxylate

HCID 101242

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 51079-10-8
표준 SMILES: CCOC(=O)C(=O)c1c[nH]c2ccccc12
InChIKey: WTPMFFQBDYIARF-UHFFFAOYSA-N
분자식: C12H11NO3
평균 분자량: 217.22 g/mol
단동위원소 질량: 217.07389321

이름 및 식별자

우선 이름: Ethyl 3-indolylglyoxylate
IUPAC: ethyl 2-(1H-indol-3-yl)-2-oxoacetate
영어명: (1H-Indol-3-yl)-oxo-acetic acid ethyl ester
분자식: C12H11NO3
분자량: 217.22

이름 및 동의어

51079-10-8ethyl 2-(1H-indol-3-yl)-2-oxoacetateEthyl indol-3-ylglyoxylateETHYL 3-INDOLYLGLYOXYLATEEthyl indole-3-glyoxylate6U8Q4H6QFUNSC-402543DTXSID40199083NSC 402543ETHYL .ALPHA.-OXO-1H-INDOLE-3-ACETATERefChem:200852DTXCID70121574

이름 더 보기

α-Oxo-1H-indole-3-acetic acid ethyl ester1H-Indole-3-acetic acid, α-oxo-, ethyl ester1-(3-cyanophenyl)-3-[[3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]methyl]urea

ETHYL ALPHA-OXO-1H-INDOLE-3-ACETATEWTPMFFQBDYIARF-UHFFFAOYSA-N(1H-Indol-3-yl)-oxo-acetic acid ethyl esterETHYL 2-(INDOL-3-YL)-2-OXOACETATEMFCD00085450Ethyl 3-indoleglyoxylateEthyl 1H-indol-3-yl(oxo)acetateEthyl 2-(3-Indolyl)-2-oxoacetate

데이터베이스 식별자

CAS: 51079-10-8
PubChem CID: 101242
DTXSID: DTXSID40199083
UNII: 6U8Q4H6QFU
EC Number: 256-954-5
Nikkaji: J261.631I

물성

구조 계산 물성

XLogP: 2.9
극성 표면적: 59.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 4
무거운 원자 수: 16
형식 전하: 0
복잡도: 290

물리화학적 성질

저장 조건: 2 · 2-8°C

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.；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.

유해성 정보

Hazard Classes and CategoriesEye Irrit. 2 (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 · 1건

용도(1H-Indol-3-yl)-oxo-acetic Acid Ethyl Ester is a starting material in synthesizing Indole-3-butyric Acid-d4 (I577802). A labelled Indolebutyric Acid. Used to stimulate root formation of plant clippings. Suitable for plant cell culture tested.