1-메틸-2-페닐인돌-3-카르복스알데히드

1H-Indole-3-carboxaldehyde, 1-methyl-2-phenyl-

HCID 74468CAS 1757-72-8
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
Cn1c(-c2ccccc2)c(C=O)c2ccccc21
InChIKey
YJOWMBICANYBLV-UHFFFAOYSA-N
분자식
C16H13NO
평균 분자량
235.28 g/mol
단동위원소 질량
235.09971404

이름 및 식별자

우선 이름
1H-Indole-3-carboxaldehyde, 1-methyl-2-phenyl-
IUPAC
1-methyl-2-phenylindole-3-carbaldehyde
현지명
1-메틸-2-페닐인돌-3-카르복스알데히드
영어명
1-Methyl-2-phenylindole-3-carboxaldehyde
분자식
C16H13NO
분자량
235.28

이름 및 동의어

1757-72-81H-Indole-3-carboxaldehyde, 1-methyl-2-phenyl-EINECS 217-149-4DTXSID6061947RefChem:438724DTXCID10355791-Methyl-2-phenyl-1H-indole-3-carbaldehyde1-methyl-2-phenylindole-3-carboxaldehyde1-methyl-2-phenylindole-3-carbaldehydeMFCD001860651-Methyl-2-phenyl-3-formylindole1-Methyl-2-phenylindole-3-carboxyaldehyde
이름 더 보기
1-메틸-2-페닐인돌-3-카르복스알데히드METHYL-2-PHENYL-3-FORMYLINDOLE3-FORMYL-1-METHYL-2-PHENYLINDOLE3-Formyl-N-methyl-2-phenylindole1-METHYL-2-PHENYL-3-FORMYL INDOLE3-Formyl-1-methyl-2-phenyl-1H-indole1-METHYL-2-PHENYLINDOL-3-FORMALDEHYDEN-Methyl-2-Phenylindole-3-Carboxaldehyde
1-methyl-2-phenyl-indole-3-carbaldehydeMLS000709096SCHEMBL1429358CHEMBL1607352HMS2669J221-methyl-2-phenyl-3-formyl-indoleBBL013018SBB063807

데이터베이스 식별자

CAS
1757-72-8
PubChem CID
74468
DTXSID
DTXSID6061947
ChEMBL
CHEMBL1607352
EC Number
217-149-4
Nikkaji
J36.862H

물성

구조 계산 물성

XLogP
3.1
극성 표면적
22 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
1
회전 가능 결합 수
2
무거운 원자 수
18

실험 및 물리화학적 성질

Solubility19.5 [ug/mL] (The mean of the results at pH 7.4)

물리화학적 성질

녹는점
128 °C · 128 °C
끓는 점
447.4 · 447.4±33.0 °C(Predicted)
밀도
1.11 · 1.11±0.1 g/cm3(Predicted)
저장 조건
2 · 2-8°C, stored under nitrogen
EPA
1 H-Indole-3-carboxaldehyde, · 1H-Indole-3-carboxaldehyde, 1-methyl-2-phenyl- (1757-72-8)

화학적 성질

White solid

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

tsca
TSCA listed
HS 번호
29339900
safety_code
24/25

화학 및 산업

용도 및 제조

General Manufacturing Information1H-Indole-3-carboxaldehyde, 1-methyl-2-phenyl-: ACTIVE

상·하류 제품 정보

하류 제품

공급사50 곳

Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
南京予善化工有限公司025-025-85281586 +86-18105181009
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
Sichuan Biosynce Pharmatech Co., Ltd.[email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]

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