Methyl 1H-pyrrole-1-carboxylate

HCID 77962CAS 4277-63-8

기본 정보

표준 SMILES: COC(=O)n1cccc1
InChIKey: MORALDOSFHZOQS-UHFFFAOYSA-N
분자식: C6H7NO2
평균 분자량: 125.13 g/mol
단동위원소 질량: 125.04767846

이름 및 식별자

우선 이름: Methyl 1H-pyrrole-1-carboxylate
IUPAC: methyl pyrrole-1-carboxylate
영어명: Methyl pyrrole-1-carboxylate
분자식: C6H7NO2
분자량: 125.13

이름 및 동의어

Methyl 1H-pyrrole-1-carboxylateEINECS 224-281-6DTXSID201954221H-pyrrole-1-carboxylic acid, methyl esterRefChem:157192DTXCID30117913224-281-6InChI=1/C6H7NO2/c1-9-6(8)7-4-2-3-5-7/h2-5H,1H4277-63-8methyl pyrrole-1-carboxylateMethyl 1-pyrrolecarboxylateMFCD00126403

이름 더 보기

N-METHYL PYRROLECARBOXYLATEMethyl 1-pyrrolecarboxylate 98%N-Methyl pyrrolecarboxylate,95%Methyl 1H-pyrrole-1-carboxylate 97%PYRROLE-1-CARBOXYLIC ACID METHYL ESTER1H-Pyrrole-1-carboxylic acid methyl ester

N-methoxycarbonylpyrroleN-carbomethoxy pyrrolemethyl pyrrolecarboxylateSCHEMBL568621SCHEMBL1899243SCHEMBL2332811Methyl 1-pyrrolecarboxylate, 98%SBB053089

데이터베이스 식별자

CAS: 4277-63-8
PubChem CID: 77962
DTXSID: DTXSID20195422
EC Number: 224-281-6
Nikkaji: J205.682H

물성

구조 계산 물성

XLogP: 0.9
극성 표면적: 31.2 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 9
형식 전하: 0
복잡도: 108

물리화학적 성질

녹는점: 166 · 166-167°C
끓는 점: 180 °C770 · 180 °C770 mm Hg(lit.)
밀도: 1.113 g/mL · 1.113 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.489(lit.)
인화점: 140 °F · 140 °F
저장 조건: Room temperature.
산도 계수 (pKa): -6.1 · -6.10±0.70(Predicted)
물리적 상태: liquid
InChI: 1S/C6H7NO2/c1-9-6(8)7-4-2-3-5-7/h2-5H,1H3
InChIKey: MORALDOSFHZOQS-UHFFFAOYSA-N
SMILES: COC(=O)n1cccc1

화학적 성질

clear colorless to very slightly yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P264, P270, P280, P301+P317, P303+P361+P353, P330, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

안전 데이터

wgk: 3
ridadr: UN 3272 3/PG 3
HS 번호: 2933998090
risk_code: 36/37/38-22
hazard_code: Xi,Xn
safety_code: 24/25
위험 등급: 3
위험 참고 사항: Irritant
Hazard Classifications: Acute Tox. 4 OralFlam. Liq. 3
스토리지 클래스: 3 - Flammable liquids

화학 및 산업

응용 분야 · 2건

용도N-Carbomethoxypyrrole, is an alkyl pyrrolecarboxylate, used in the chemical synthesis of various compounds.

일반 설명Methyl 1-pyrrolecarboxylate (M1PC) is an alkyl pyrrolecarboxylate. Its standard enthalpy of formation has been evaluated by calorimetric and computational determinations. Its reaction with pyrrole Grignard reagent and pyrrole-d4 Grignard reagent has been reported.

상·하류 제품 정보

상류 원료

1,8-디아자비사이클로[5.4.0]운덴센-7

공급사27 곳

陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]

杭州鸿喜生物医药科技有限公司18989489206 · [email protected]

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

Aladdin Scientific[email protected]

上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]

연결된 노트

불러오는 중…