1-포밀피롤리딘

1-포밀피롤리딘 · 1-PYRROLIDINECARBOXALDEHYDE · N-FORMYLPYRROLIDINE · pyrrolidine-1-carbaldehyde · prolinal · 1-formylpyrolidine · 1-FORMYLPYRROLIDINE · TIMTEC-BB SBB008020

https://huagongshe.com/ko/chemical/77372

식별자 및 물리적 특성

CAS No.	3760-54-1
분자식	C5H9NO
평균 분자량	99.13 g/mol
단동위원소 질량	99.06841391 g/mol
SMILES	O=CN1CCCC1
InChIKey	AGRIQBHIKABLPJ-UHFFFAOYSA-N
PubChem CID	77372
ChEMBL	CHEMBL4745604
ChEBI	CHEBI:178202
EC No.	223-175-7
DTXSID	DTXSID40191042
현지명	1-포밀피롤리딘

화학 및 물리적 성질

XLogP	-0.3
극성 표면적	20.3
수소 결합 공여자 수	0
수소 결합 수용자 수	1
회전 가능 결합 수	0
무거운 원자 수	7
형식 전하	0
복잡도	66.5
물질 분류	Nitrogen Compounds -> Other Nitrogen Compounds
SpringerMaterials Properties	Schoenflies notation
LogP(분배 계수)	-0.32
증기압	1.28 [mmHg]
Physical Description	Clear light brown liquid[Aldrich MSDS]
끓는 점	92-94 °C/15 mmHg (lit.)
밀도	1.04 g/mL at 25 °C (lit.)
굴절률	n20/D 1.479(lit.)
인화점	203 °F
저장 조건	Sealed in dry,Room Temperature
물리적 상태	liquid
pKa(산도 계수)	-0.44±0.20(Predicted)
BRN	106540
InChI	InChI=1S/C5H9NO/c7-5-6-3-1-2-4-6/h5H,1-4H2
InChIKey	AGRIQBHIKABLPJ-UHFFFAOYSA-N
SMILES	N1(C=O)CCCC1

화학적 성질

CLEAR SLIGHTLY YELLOW LIQUID

안전 및 규제

GHS 분류	WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 요약	May cause irritation[Aldrich MSDS]
Hazard Classes and Categories	Acute Tox. 4 (100%)
수질 위해 등급(WGK)	3
안전 문구(S)	23-24/25
F 고인화성물질	10
저장 분류	10 - Combustible liquids

용도

1-Formylpyrrolidine was used in the synthesis of 1-oxa-3,4-dimethyl-5-(1-pyrrolldino)-2,2-di(tert-butyl)silacyclopentane and 1-oxa-4-isopropyl-5-(1-pyrrolidino)-2,2-di(tert-butyl)silacyclopentane.

일반 설명

1-Formylpyrrolidine is the monomer constituent of gas clathrate inhibitor.