1-Methyl-1H-pyrrole-2-carbaldehyde (HCID 14504)

개요

1-Methyl-2-pyrrolecarboxaldehyde is an arenecarbaldehyde.

이름 및 식별자

우선 이름: 1-Methyl-1H-pyrrole-2-carbaldehyde
IUPAC: 1-methylpyrrole-2-carbaldehyde
현지명: 메틸-2-피롤카복시알데히드
영어명: N-Methylpyrrole-2-carboxaldehyde
분자식: C6H7NO
분자량: 109.13

이름 및 동의어

1-Methyl-1H-pyrrole-2-carbaldehydeRefChem:76214InChI=1/C8H10ClNO/c1-2-3-7(11)8-6(9)4-5-10-8/h4-5,10H,2-3H2,1H1192-58-11-Methylpyrrole-2-carboxaldehydeN-Methylpyrrole-2-carboxaldehyde1-Methylpyrrole-2-carbaldehyde1H-Pyrrole-2-carboxaldehyde, 1-methyl-N-Methyl-2-pyrrolecarboxaldehyde1-Methyl-2-pyrrolecarboxaldehyde1-Methyl-1H-pyrrole-2-carboxaldehyde2-Formyl-1-methylpyrrole

이름 더 보기

1-메틸-2-피롤카복스알데하이드메틸-2-피롤카복시알데히드AURORA KA-4242AKOS BBS-000032111-methylformylpyrrole

MFCD000030871-Methyl-2-formylpyrroleNSC 72386M0HYH3D7SX1-Methyl-2-pyrrolaldehydeN-methylpyrrole-2-carbaldehydeN-METHYL-2-FORMYLPYRROLE1-methylpyrrole-2-carboxyaldehyde

데이터베이스 식별자

CAS: 1192-58-1
PubChem CID: 14504
DTXSID: DTXSID20152338
ChEMBL: CHEMBL2229659
ChEBI: CHEBI:193607
UNII: M0HYH3D7SX
EC Number: 214-755-0
Nikkaji: J40.761E

물성

구조 계산 물성

XLogP: 0.5
극성 표면적: 22 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 1
무거운 원자 수: 8
형식 전하: 0
복잡도: 92.5

실험 및 물리화학적 성질

SpringerMaterials PropertiesChemical shift

Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food

Density1.012-1.018

Flavoring AgentsEU Flavoring substances

Solubility · 2건

Soluble in water

Soluble (in ethanol)

Boiling Point · 2건

87.00 to 90.00 °C. @ 22.00 mm Hg

192-194º

물리화학적 성질

끓는 점: 87 · 87-90 °C/22 mmHg (lit.)
밀도: 1.016 g/mL · 1.016 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.560
FEMA: 4332 · 4332 | 1-METHYL-1H-PYRROLE-2-CARBOXALDEHYDE
인화점: 162 °F · 162 °F
저장 조건: 2 · 2-8°C
용해도: 클로로포름, 메탄올에 용해됨
산도 계수 (pKa): -6.88 · -6.88±0.70(Predicted)
물리적 상태: 액체
색상: 투명한
냄새: 구운 견과류
JECFA Number: 2152 · 2152
BRN: 107811 · 107811
InChI: 1S/C6H7NO/c1-7-4-2-3-6(7)5-8/h2-5H,1H3
InChIKey: OUKQTRFCDKSEPL-UHFFFAOYSA-N
SMILES: [H]C(=O)c1cccn1C
LogP: 0.63 · 0.63
NIST: 1 H-Pyrrole-2-carboxaldehyde, · 1H-Pyrrole-2-carboxaldehyde, 1-methyl-(1192-58-1)

화학적 성질

Clear colourless to slightlypink liquid

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 67.2% (90 of 134) of all reports.

Warning

H315 (32.8%): Causes skin irritation [Warning Skin corrosion/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 134 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 2건

Chemical: 1H-Pyrrole-2-carboxaldehyde, 1-methyl-

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

Hazard Classes and CategoriesSkin Irrit. 2 (32.8%)

안전 데이터

wgk: 3
rtecs: UX9350000
HS 번호: 29339990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36-36/37/39
F 고인화성물질: 8-10-23
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

약리 정보

Cellular LocationsCytoplasm

용도 및 제조

Use Classification · 2건

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

응용 분야

용도N-Methyl-2-pyrrolecarboxaldehyde was used to prepare 3-(1-methyl-1H-pyrrol-2-yl)propanoic acid.

상·하류 제품 정보

하류 제품

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]

苏州道澜生物医药科技有限公司15952404857 · [email protected]

上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]

湖北威德利化学试剂有限公司181-6332-1995 18062128043 · [email protected]

연결된 노트

불러오는 중…

메틸-2-피롤카복시알데히드

기본 정보

개요