N-아세트산-인돌-3-카르복스알데히드

2-(3-formyl-1H-indol-1-yl)acetic acid

HCID 771465
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기본 정보

CAS
138423-98-0
표준 SMILES
O=Cc1cn(CC(=O)O)c2ccccc12
InChIKey
ZUUGBTJTGRTIFK-UHFFFAOYSA-N
분자식
C11H9NO3
평균 분자량
203.19 g/mol
단동위원소 질량
203.05824315

이름 및 식별자

우선 이름
2-(3-formyl-1H-indol-1-yl)acetic acid
IUPAC
2-(3-formylindol-1-yl)acetic acid
현지명
N-아세트산-인돌-3-카르복스알데히드
영어명
N-Acetic acid-indole-3-carboxaldehyde
분자식
C11H9NO3
분자량
203.19

이름 및 동의어

2-(3-formyl-1H-indol-1-yl)acetic acidRefChem:455592623-781-5138423-98-0(3-formylindol-1-yl)acetic acid3-formylindol-1-yl-acetic acid(3-Formyl-1-indolyl)acetic acid(3-Formyl-Indol-1-Yl)-Acetic AcidN-Acetic acid-indole-3-carboxaldehyde2-(3-formylindol-1-yl)acetic Acid1H-Indole-1-acetic acid, 3-formyl-(3-formyl-1H-indol-1-yl)acetic acid
이름 더 보기
N-아세트산-인돌-3-카르복스알데히드TIMTEC-BB SBB010076CHEMBRDG-BB 40026613-FORMYL INDOLEACETIC ACID3-FORMYLINDOLE-1-ACETIC ACID3-Formylindole-N-acetic acid3-Formylindol-1-yl-AceticAci3-FORMYLINDOLE-1-YL-ACETIC ACID3-Formyl-1H-indole-1-acetic acid
MFCD00452923indole-n-acetic acid-3-carboxaldehydeSTK500554indole-n-acetic acid 3-carboxaldehydeAKOS0001031591-(Carboxymethyl)indole-3-carboxaldehyde(3-Formyl-1-indolyl)acetic acid, >=97.0%F2130-0059

데이터베이스 식별자

CAS
138423-98-0
PubChem CID
771465
DTXSID
DTXSID50354388
EC Number
623-781-5

물성

구조 계산 물성

XLogP
1.2
극성 표면적
59.3 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
3
회전 가능 결합 수
3
무거운 원자 수
15

물리화학적 성질

녹는점
197 · 197-200 °C(lit.)
끓는 점
458.5 · 458.5±25.0 °C(Predicted)
밀도
1.3 · 1.30±0.1 g/cm3(Predicted)
저장 조건
2 · Keep in dark place,Inert atmosphere,2-8°C
산도 계수 (pKa)
4.15 · 4.15±0.10(Predicted)
물리적 상태
solid

화학적 성질

Solid

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 43 reports by companies from 3 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.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

안전 데이터

wgk
3
HS 번호
29339900
risk_code
36/37/38
hazard_code
Xi
safety_code
26-36
위험 등급
IRRITANT

화학 및 산업

응용 분야

용도Handle to synthesize an indolecarboxaldehyde resin by coupling to an amino-resin. Amines and derivatives can be immobilized by reductive amination of this aldehyde resin. Mild cleavage with 50% TFA

상·하류 제품 정보

공급사100 곳

湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

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