Indole-2-carboxylic acid (HCID 72899)

개요

Indole-2-carboxylic acid is an indolyl carboxylic acid.

이름 및 식별자

우선 이름: Indole-2-carboxylic acid
IUPAC: 1H-indole-2-carboxylic acid
현지명: 인돌-2-카르복실산
영어명: Indole-2-carboxylic acid
분자식: C9H7NO2
분자량: 161.16

이름 및 동의어

Indole-2-carboxylic acid1H-Indole-2-carboxylic acid1477-50-5DTXSID20163782RefChem:790959DTXCID9086273216-030-42-Carboxyindole2-Indolecarboxylic acidMFCD00005611Indol-2-Carboxylic Acidcarboxyindole

이름 더 보기

인돌-2-카르복실산Indole-2-carboxylicNSC 16598e-2-carboxyLAKOS JY2082713Indol-2-carbonsure2-Carboxy-1H-indoleTIMTEC-BB SBB003953

2-INDOLYLFORMIC ACIDSpectrum_0014851H-2-indolecarboxylic acid1H-indole-2-carboxylicacidCHEMBL278390KBio2_004533SMR000112260EN300-16592

데이터베이스 식별자

CAS: 1477-50-5
PubChem CID: 72899
DTXSID: DTXSID20163782
ChEMBL: CHEMBL278390
ChEBI: CHEBI:169990
EC Number: 216-030-4
Nikkaji: J132E

물성

구조 계산 물성

XLogP: 2.3
극성 표면적: 53.1 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 12
형식 전하: 0
복잡도: 193

실험 및 물리화학적 성질

SpringerMaterials PropertiesChemical shift

LogP · 2건

2.31

Physical DescriptionSolid

물리화학적 성질

녹는점: 202 · 202-206 °C(lit.)
끓는 점: 287.44 °C · 287.44°C (rough estimate)
밀도: 1.248 · 1.2480 (rough estimate)
굴절률: 1.505 · 1.5050 (estimate)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: 5 % · Soluble in clear yellow solution 5% in ethanol, dimethyl sulfoxide and methanol.
산도 계수 (pKa): 4.44 · 4.44±0.30(Predicted)
물리적 상태: 결정질 분말 또는 결정
색상: 황백색에서 노란색, 갈색까지
BRN: 124132 · 124132
InChI: InChI=1S/C9H7NO2/c11-9(12)8-5-6-3-1-2-4-7(6)10-8/h1-5,10H,(H,11,12)
InChIKey: HCUARRIEZVDMPT-UHFFFAOYSA-N
SMILES: N1C2=C(C=CC=C2)C=C1C(O)=O
NIST: -2 · Indole-2-carboxylic acid(1477-50-5)

화학적 성질

Yellow Crystalline Powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (83.3%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 2건

Chemical: 1H-Indole-2-carboxylic acid

1H-Indole-2-carboxylic acid: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia

Hazard Classes and CategoriesAcute Tox. 4 (83.3%)

안전 데이터

wgk: 3
rtecs: NK7882812
HS 번호: 29339990
risk_code: 36/37/38-21/22
hazard_code: Xn,Xi
safety_code: 22-24/25
위험 등급: IRRITANT
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 1건

용도• ;Reactant for total synthesis of (±)-dibromophakellin and analogs1• ;Reactant for synthesis of the pyrrolizidine alkaloid (±)-trachelanthamidine2• ;Reactant for stereoselective preparation of renieramycin G analogs3• ;Reactant for preparation of spirooxoindolepyrrolidines via reduction of indole-2-carboxylic acid followed by oxidation, condensation, reduction, amidation and Kharasch radical cyclization4• ;Reactant for Pd-catalyzed cyclization5• ;Reactant for preparation of N,N′-(pentane)diylbis[indolecarboxamide] and N,N′-[phenylenebis(

상·하류 제품 정보

상류 원료

하류 제품

3-인돌프로피온산 인도린-2-카르복실산 메틸1H-인돌-2-카르복실레이트 3-포르밀-1H-인돌-2-카복실산 1H-인돌-2-일메탄올 3-아이오도인돌-2-카복실산 1H-Indole-2-methanol, α-methyl-

공급사50 곳

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T&W GROUP021-61551611 13296011611 · [email protected]

연결된 노트

불러오는 중…

인돌-2-카르복실산

기본 정보

개요