1H-indole-6-carboxylic acid (HCID 595230)

이름 및 식별자

우선 이름: 1H-indole-6-carboxylic acid
IUPAC: 1H-indole-6-carboxylic acid
영어명: Indole-6-carboxylic acid
분자식: C9H7NO2
분자량: 161.16

이름 및 동의어

1H-Indole-6-carboxylic acid1670-82-2RefChem:438763605-464-3Indole-6-carboxylic acid6-carboxyindole6-Indolecarboxylic acid261352-47-0MFCD002104416-carboxy-1H-indole1H-INDOLE-6-CARBOXYLICACID, RADICAL ION(1+) (9CI)CHEMBL1229732

이름 더 보기

RARECHEM AL BO 0290RARECHEM AL BE 1265TIMTEC-BB SBB000134Indole-6-methyl acidLABOTEST-BB LT00441293Indole-6-carboylic acid

Indole-6-carboxylic acid, 97%HMS1530P11HY-W015420AC-3144SB10578F2158-0225MLS0000396331F1

데이터베이스 식별자

CAS: 1670-82-2
PubChem CID: 595230
ChEMBL: CHEMBL1229732
EC Number: 605-464-3
Nikkaji: J1.253.220B

물성

구조 계산 물성

XLogP: 2.1
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

물리화학적 성질

녹는점: 249 · 249-253 °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
산도 계수 (pKa): 4.44 · 4.44±0.30(Predicted)
물리적 상태: 가루
색상: 노란색-베이지색에서 오렌지색-갈색
BRN: 123991 · 123991
InChI: InChI=1S/C9H7NO2/c11-9(12)7-2-1-6-3-4-10-8(6)5-7/h1-5,10H,(H,11,12)
InChIKey: GHTDODSYDCPOCW-UHFFFAOYSA-N
SMILES: N1C2=C(C=CC(C(O)=O)=C2)C=C1

화학적 성질

yellow-beige to orange-brown powder

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 9.1% (1 of 11) of reports.

Warning

H302 (36.4%): 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 11 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (36.4%)

안전 데이터

wgk: 3
HS 번호: 29339900
risk_code: 36/37/38-21/22-20/21/22-51-36-22
hazard_code: Xn,Xi
safety_code: 22-24/25-37/39-26
위험 참고 사항: Irritant

화학 및 산업

응용 분야 · 1건

용도• ;Reactant for preparation of D-glutamic acid-based inhibitors of E. coli MurD ligase1• ;Reactant for preparation of indolylindazoles and indolylpyrazolopyridines as interleukin-2 inducible T cell kinase inhibitors2• ;Reactant for preparation of amide conjugates with ketoprofen, as inhibitors of Gli1-mediated transcription in Hedgehog pathway3• ;Reactant for preparation of piperazine-bisamide analogs as human growth hormone secretagogue receptor antagonists for treatment of obesity4• ;Reactant for preparation of pyridinyl carboxylates via esterification with chlorohyd

상·하류 제품 정보

상류 원료

하류 제품

AKOS B006681 N-메톡시-N-메틸-1H-인돌-6-카르복사미드 1H-인다졸-6-카르복실산,3-forMyl-

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]

연결된 노트

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1H-indole-6-carboxylic acid

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