1H-인돌-7-카르복실산

1H-Indole-7-carboxylic acid

HCID 74281CAS 1670-83-3

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=C(O)c1cccc2cc[nH]c12
InChIKey: IPDOBVFESNNYEE-UHFFFAOYSA-N
분자식: C9H7NO2
평균 분자량: 161.16 g/mol
단동위원소 질량: 161.04767847

이름 및 식별자

우선 이름: 1H-Indole-7-carboxylic acid
IUPAC: 1H-indole-7-carboxylic acid
현지명: 1H-인돌-7-카르복실산
영어명: 1H-Indole-7-carboxylic acid
분자식: C9H7NO2
분자량: 161.16

이름 및 동의어

Indole-7-carboxylic acid1H-Indole-7-carboxylic acid1670-83-3EINECS 216-801-5DTXSID1061869RefChem:79884DTXCID6035360216-801-5IPDOBVFESNNYEE-UHFFFAOYSA-NMFCD00210442CHEMBL20181591~{H}-indole-7-carboxylic acid

이름 더 보기

1H-인돌-7-카르복실산JACS-1670-83-37-Carboxy-1H-indoleRARECHEM AL BE 0640Indole-7-carboxylicacid98%Indole-7-carboxylicAcid>1H-INDOLE-7-CARBOXYLIC ACIDIndole-7-carboxylic acid 98%

7-Indolecarboxylic acid7-CARBOXYINDOLEKXQIndole-7-carboxlic acidindole 7-carboxylic acid1H-indol-7-carboxylic acidOprea1_470510Oprea1_510927

데이터베이스 식별자

CAS: 1670-83-3
PubChem CID: 74281
DTXSID: DTXSID1061869
ChEMBL: CHEMBL2018159
UNII: K7YV38W955
EC Number: 216-801-5
Nikkaji: J195.310I

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

물리화학적 성질

녹는점: 202 °C · 202 °C
끓는 점: 419.6 · 419.6±18.0 °C(Predicted)
밀도: 1.408 · 1.408±0.06 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
물리적 상태: powder to crystal
산도 계수 (pKa): 4.55 · 4.55±0.10(Predicted)
색상: 흰색에서 회색, 갈색까지
수용성: 물에 용해됩니다.
InChI: InChI=1S/C9H7NO2/c11-9(12)7-3-1-2-6-4-5-10-8(6)7/h1-5,10H,(H,11,12)
InChIKey: IPDOBVFESNNYEE-UHFFFAOYSA-N
SMILES: N1C2=C(C=CC=C2C(O)=O)C=C1
EPA: 1 H-Indole-7-carboxylic · 1H-Indole-7-carboxylic acid (1670-83-3)

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 (50%): 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 2 reports by companies from 2 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 (50%)

안전 데이터

tsca: TSCA listed
HS 번호: 2933998090
risk_code: 36/37/38
hazard_code: Xi
safety_code: 24/25
위험 등급: IRRITANT

화학 및 산업

용도 및 제조

General Manufacturing Information1H-Indole-7-carboxylic acid: ACTIVE

응용 분야

용도Indole-7-carboxylic acid is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuff fields.

공급사50 곳

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]

南通润丰石油化工有限公司66017690 19952660367 · [email protected]

武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

연결된 노트

불러오는 중…