3-Pyrroline (HCID 66059)

개요

3-pyrroline is a pyrroline.

이름 및 식별자

우선 이름: 3-Pyrroline
IUPAC: 2,5-dihydro-1H-pyrrole
현지명: 3-피롤린
영어명: 3-Pyrroline
분자식: C4H7N
분자량: 69.11

이름 및 동의어

3-Pyrroline2,5-Dihydro-1H-pyrrole109-96-62,5-Dihydropyrrole1H-Pyrrole, 2,5-dihydro-N0KYF81SDYNSC-89295DTXSID4059380CHEBI:20198RefChem:95415DTXCID4033134203-723-1

이름 더 보기

3-피롤린DIHYDROPYRROLE3-Pyrroline95%3-Pyrroline 95%3-Pyrroline HCl3-Pyrroline,97%

760178-50-5MFCD00005213Delta(3)-pyrroline.DELTA.3-Pyrroline3-pyrroline (contains pyrrolidine)delta3-Pyrroline2,5-dihydropyrrol2,5-dihydro-1h-pyrrol

데이터베이스 식별자

CAS: 109-96-6
PubChem CID: 66059
DTXSID: DTXSID4059380
ChEBI: CHEBI:20198
UNII: N0KYF81SDY
EC Number: 203-723-1
Nikkaji: J135.624K

물성

구조 계산 물성

XLogP: 0
극성 표면적: 12 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 0
무거운 원자 수: 5
형식 전하: 0
복잡도: 41.6

실험 및 물리화학적 성질

SpringerMaterials PropertiesSchoenflies notation

물리화학적 성질

끓는 점: 90 · 90-91 °C/748 mmHg (lit.)
밀도: 0.91 g/mL · 0.91 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.46(lit.)
인화점: 1 °F · −1 °F
저장 조건: -20 °C · -20°C
용해도: soluble in Alcohol,Chloroform,Ether.
물리적 상태: 투명한 액체
산도 계수 (pKa): 1 · pK1:-0.27(+1) (25°C)
색상: Colorless to Light yellow to Light orange
Specific Gravity: 0.902 · 0.902
수용성: 혼용 가능
Merck: 14 · 14,8017
BRN: 103173 · 103173
Henry's Law Constant: 4.9 · 4.9×100 mol/(m3Pa) at 25℃, Amoore and Buttery (1978)
InChI: 1S/C4H7N/c1-2-4-5-3-1/h1-2,5H,3-4H2
InChIKey: JVQIKJMSUIMUDI-UHFFFAOYSA-N
SMILES: C1NCC=C1
NIST: 1 H-Pyrrole, · 1H-Pyrrole, 2,5-dihydro-(109-96-6)
EPA: 1 H-Pyrrole, · 1H-Pyrrole, 2,5-dihydro- (109-96-6)

화학적 성질

clear colorless to light yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H225 (97.9%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesFlam. Liq. 2 (97.9%)

안전 데이터

wgk: 3
tsca: TSCA listed
ridadr: UN 2733 3/PG 2
HS 번호: 29339900
risk_code: 12-20/22-35-34-11
hazard_code: F+,C,F,Xi
safety_code: 16-26-36/37/39-45
포장분류: II
위험 등급: 3
F 고인화성물질: 3-10-19-23
Hazard Classifications: Acute Tox. 4 InhalationAcute Tox. 4 OralFlam. Liq. 2Skin Corr. 1A
스토리지 클래스: 3 - Flammable liquids

화학 및 산업

용도 및 제조

General Manufacturing Information1H-Pyrrole, 2,5-dihydro-: INACTIVE

응용 분야 · 1건

일반 설명Various 3-pyrrolines (2,5-dihydropyrroles) have been synthesized by two-step reaction sequence of alkylation/alkylidene carbene CH-insertion reaction. Synthesis of 3-pyrroline has been reported by employing cis-1,4-dichloro-2-butene as starting reagent.