7-Ethyltryptophol (HCID 198231)

이름 및 식별자

우선 이름: 7-Ethyltryptophol
IUPAC: 2-(7-ethyl-1H-indol-3-yl)ethanol
영어명: 7-Ethyl tryptophol
분자식: C12H15NO
분자량: 189.25

이름 및 동의어

41340-36-77-Ethyltryptophol7-Ethyl-1H-indole-3-ethanol1H-Indole-3-ethanol, 7-ethyl-2-(7-Ethyl-1H-indol-3-yl)-ethanol7-Ethyl-3-(2-hydroxyethyl)indoleCCRIS 5406DTXSID1057741RAK-801JJ4LB8KM8OBRN 1074382UNII-JJ4LB8KM8O

이름 더 보기

7-ET3-(7-ETHYLINDOLE)ETHANOL7-EthylC:C&B54forEtodolac3-oxovalerate7-Ethylchromol7-Ethylresorcinol

DTXCID2031530EC 431-020-1RefChem:106079609-910-82-(7-ethyl-1H-indol-3-yl)ethanol7-Ethyl tryptophol7-Ethyl-3-indoleethanolEtodolac EP Impurity H

데이터베이스 식별자

CAS: 41340-36-7
PubChem CID: 198231
DTXSID: DTXSID1057741
ChEMBL: CHEMBL3182675
UNII: JJ4LB8KM8O
EC Number: 431-020-1、609-910-8
Nikkaji: J357.718J

물성

구조 계산 물성

XLogP: 2.4
극성 표면적: 36 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 1
회전 가능 결합 수: 3
무거운 원자 수: 14
형식 전하: 0
복잡도: 183

물리화학적 성질

녹는점: 44 · 44-45°C
끓는 점: 377.8 · 377.8±27.0 °C(Predicted)
밀도: 1.146 · 1.146±0.06 g/cm3(Predicted)
저장 조건: 2 · Sealed in dry,2-8°C
용해도: 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
산도 계수 (pKa): 14.98 · 14.98±0.10(Predicted)
색상: 흰색에서 옅은 베이지까지
주요 응용: 의약품(소분자)
InChI: InChI=1S/C12H15NO/c1-2-9-4-3-5-11-10(6-7-14)8-13-12(9)11/h3-5,8,13-14H,2,6-7H2,1H3
InChIKey: UVSDNCAZVSQJQA-UHFFFAOYSA-N
SMILES: N1C2=C(C=CC=C2CC)C(CCO)=C1

화학적 성질

Pale Beige Solid

안전 및 규제

GHS 분류

GHS Classification · 6건

Warning

H302: Harmful if swallowed [Warning Acute toxicity, oral]；H373 **: May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]；H411: Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P260, P264, P270, P273, P301+P317, P319, P330, P391, and P501 (click each P-code to see the statement)

Warning

유해성 정보

Regulatory InformationStatus: Active Update: 29-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/22803；Status: Cease Manufacture Update: 24-09-2010 https://echa.europa.eu/registration-dossier/-/registered-dossier/2715

Hazard Classes and Categories · 4건

Acute Tox. 4 (100%)；STOT RE 2 (50%)；Aquatic Chronic 2 (50%)

Acute Tox. 4 (100%)；STOT RE 2 (87.5%)；Aquatic Chronic 2 (100%)

Acute toxicity - category 4；Specific target organ toxicity (repeated exposure) - category 2；Hazardous to the aquatic environment (chronic) - category 2

Acute Tox. 4 *；STOT RE 2 *；Aquatic Chronic 2

규제 정보

Regulatory InformationStatus: Active Update: 29-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/22803；Status: Cease Manufacture Update: 24-09-2010 https://echa.europa.eu/registration-dossier/-/registered-dossier/2715

안전 데이터

wgk: WGK 2
rtecs: NL8512200
ridadr: 3077
HS 번호: 2933998090
risk_code: 22-48/22-51/53
hazard_code: Xn;N,N,Xn
safety_code: 2-36/37/39-61
포장분류: III
위험 등급: 9
Hazard Classifications: Acute Tox. 4 OralAquatic Chronic 2STOT RE 2
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도Key intermediate in the preparation of the non-steroidal anti-inflammatory drug Etodolac.

상·하류 제품 정보

상류 원료

공급사50 곳

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

郑州阿尔法化工有限公司+86-18530059196 · [email protected]

Changzhou Carman Chemical Co., Ltd.15061933924

武汉鹏垒生物科技有限公司15871464247 · [email protected]

上海泰矶林实业有限公司02150630626 17717886015 · [email protected]

연결된 노트

불러오는 중…

7-Ethyltryptophol

기본 정보