에틸5-클로로-2-인돌카르복실레이트

Ethyl 5-chloroindole-2-carboxylate

HCID 78518CAS 4792-67-0

기본 정보

표준 SMILES
CCOC(=O)c1cc2cc(Cl)ccc2[nH]1
InChIKey
LWKIFKYHCJAIAB-UHFFFAOYSA-N
분자식
C11H10ClNO2
평균 분자량
223.65 g/mol
단동위원소 질량
223.0400063

이름 및 식별자

우선 이름
Ethyl 5-chloroindole-2-carboxylate
IUPAC
ethyl 5-chloro-1H-indole-2-carboxylate
현지명
에틸5-클로로-2-인돌카르복실레이트
영어명
Ethyl 5-chloro-2-indolecarboxylate
분자식
C11H10ClNO2
분자량
223.66

이름 및 동의어

Ethyl 5-chloro-1H-indole-2-carboxylateEthyl 5-chloroindole-2-carboxylateEINECS 225-345-6LWKIFKYHCJAIAB-UHFFFAOYSA-DTXSID90197352NSC 94209RefChem:595749DTXCID00119843225-345-6InChI=1/C11H10ClNO2/c1-2-15-11(14)10-6-7-5-8(12)3-4-9(7)13-10/h3-6,13H,2H2,1H34792-67-0Ethyl 5-chloro-2-indolecarboxylate
이름 더 보기
에틸5-클로로-2-인돌카르복실레이트5-Cl-ICA-OEtTIMTEC-BB SBB0033295-CHLORO-2-INDOLECARBOXYLICEthyl-5-chloro Anthranilate5-CHLORO-INDOLE-2-ETHYL FORMATE
5-Chloroindole-2-carboxylic Acid Ethyl EsterMFCD000056101H-Indole-2-carboxylic acid, 5-chloro-, ethyl ester5-chloro-1H-indole-2-carboxylic acid ethyl esterETHYL-5-CHLOROINDOLE-2-CARBOXYLATE2-CARBETHOXY-5-CHLOROINDOLENSC94209SCHEMBL42366

데이터베이스 식별자

CAS
4792-67-0
PubChem CID
78518
DTXSID
DTXSID90197352
EC Number
225-345-6
Nikkaji
J262.458C

물성

구조 계산 물성

XLogP
3.8
극성 표면적
42.1 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
2
회전 가능 결합 수
3
무거운 원자 수
15

실험 및 물리화학적 성질

Kovats Retention Index1938

물리화학적 성질

녹는점
166 · 166-168 °C (lit.)
끓는 점
375 · 375.0±22.0 °C(Predicted)
밀도
1.2405 · 1.2405 (rough estimate)
굴절률
1.55 · 1.5500 (estimate)
저장 조건
Sealed in dry,Room Temperature
물리적 상태
분말 또는 결정

화학적 성질

yellowish to light brown crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 6건

This chemical does not meet GHS hazard criteria for 16.7% (1 of 6) of reports.

Warning

H315 (83.3%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (83.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (66.7%): 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 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 1 of 6 reports by companies.;There are 2 notifications provided by 5 of 6 reports by companies with hazard statement code(s).;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 (83.3%);Eye Irrit. 2 (83.3%)

안전 데이터

wgk
3
HS 번호
29339900
risk_code
36/37/38
hazard_code
Xi
safety_code
24/25-37-26
위험 참고 사항
Irritant

화학 및 산업

응용 분야

용도Ethyl 5-chloro-2-indolecarboxylate was used in the synthesis of anti-allergic agents.

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]
苏州启航生物科技有限公司18151111370 · [email protected]
Shanghai Yingrui Biopharma Co.,Ltd21-33585366 · [email protected]
爱斯特(成都)生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

관련 반응

39건

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