1-에틸-1H-피롤-2-카브알데히드

1-Ethyl-2-pyrrolecarboxaldehyde

HCID 579338CAS 2167-14-8
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
CCn1cccc1C=O
InChIKey
DVLGEHCERRWDIX-UHFFFAOYSA-N
분자식
C7H9NO
평균 분자량
123.15 g/mol
단동위원소 질량
123.06841391

이름 및 식별자

우선 이름
1-Ethyl-2-pyrrolecarboxaldehyde
IUPAC
1-ethylpyrrole-2-carbaldehyde
현지명
1-에틸-1H-피롤-2-카브알데히드
영어명
1-Ethyl-1H-pyrrole-2-carbaldehyde
분자식
C7H9NO
분자량
123.15

이름 및 동의어

1-Ethyl-1H-pyrrole-2-carbaldehyde1-Ethyl-1H-pyrrole-2-carboxaldehyde1H-Pyrrole-2-carboxaldehyde, 1-ethyl-1-Ethyl-2-formylpyrroleTea pyrrole1-Ethyl-2-pyrrolecarboxaldehydeUNII-51J1CE738Y1-Ethylpyrrole-2-aldehyde1-Ethyl-2-formyl-1H-pyrroleFEMA No. 4317N-ETHYL-2-FORMYLPYRROLEN-Ethylpyrrole-2-carboxaldehyde
이름 더 보기
1-에틸-1H-피롤-2-카브알데히드Teapylrole1-ethylpyrrole-2-carbaldehyde2-Formyl-1-ethylpyrrole1-ethyl-1H-pyrrole-2-carbaldehyde (SALTDATA: FREE)
51J1CE738YPyrrole-2-carboxaldehyde, 1-ethyl-1-Ethyl-1H-pyrrole-2-carboxyaldehyde1-ETHYL-2-PYRROLECARBOXALDEHYDE [FHFI]DTXSID801760551-ETHYLPYRROLE-2-CARBOXALDEHYDERefChem:757331-ethyl-2-formyl pyrrole

데이터베이스 식별자

CAS
2167-14-8
PubChem CID
579338
DTXSID
DTXSID80176055
ChEBI
CHEBI:173336
UNII
51J1CE738Y
EC Number
639-017-9
Nikkaji
J121.844A

물성

구조 계산 물성

XLogP
0.8
극성 표면적
22 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
1
회전 가능 결합 수
2
무거운 원자 수
9

실험 및 물리화학적 성질

Density1.033 - 1.039
Solubility · 2건

Practically insoluble to insoluble in water

Soluble (in ethanol)

Boiling Point · 2건

204.00 to 206.00 °C. @ 760.00 mm Hg

204-206º

Refractive Index1.541 - 1.547
Physical DescriptionClear colorless to yellow liquid; burnt smokey aroma
Kovats Retention Index · 2건

1067；1039；1046

1610；1610；1610；1610；1616；1566；1562

물리화학적 성질

끓는 점
59 °C · 59 °C(Press: 6 Torr)
밀도
0.99 · 0.99±0.1 g/cm3(Predicted)
FEMA
4317 · 4317 | 1-ETHYL-2-PYRROLECARBOXALDEHYDE
저장 조건
Refrigerator, under inert atmosphere
용해도
클로로포름(약간 용해됨), 메탄올(약간 용해됨)
산도 계수 (pKa)
-6.88 · -6.88±0.70(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

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

Aggregated GHS information provided per 1375 reports by companies from 1 notifications to the ECHA C&L Inventory.；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

Regulatory InformationCommission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Hazard Classes and CategoriesAcute Tox. 4 (100%)

규제 정보

Regulatory InformationCommission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)

안전 데이터

HS 번호
2933998090

화학 및 산업

약리 정보

Cellular LocationsCytoplasm；Extracellular

용도 및 제조

Use Classification · 2건

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

상·하류 제품 정보

공급사50 곳

湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]

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