4,5-디하이드로-1H-이미다졸

2-Imidazoline

HCID 68156CAS 28299-33-4

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: C1=NCCN1
InChIKey: MTNDZQHUAFNZQY-UHFFFAOYSA-N
분자식: C3H6N2
평균 분자량: 70.09 g/mol
단동위원소 질량: 70.0530982

이름 및 식별자

우선 이름: 2-Imidazoline
IUPAC: 4,5-dihydro-1H-imidazole
현지명: 4,5-디하이드로-1H-이미다졸
영어명: 4,5-dihydro-1H-imidazole
분자식: C3H6N2
분자량: 70.09

이름 및 동의어

4,5-Dihydro-1H-imidazoleimidazoline2-Imidazoline504-75-61H-Imidazole, 4,5-dihydro-D36R5YLK6RCORBAN 210WSDTXSID2060127CHEBI:53094RefChem:473552DTXCID5040835DTXSID10894831

이름 더 보기

4,5-디하이드로-1H-이미다졸

207-999-428299-33-41H-Imidazole, dihydro-UNII-D36R5YLK6REINECS 207-999-44,5-dihydroimidazoleSCHEMBL2438SCHEMBL3144

데이터베이스 식별자

CAS: 28299-33-4、504-75-6
PubChem CID: 68156
DTXSID: DTXSID2060127
ChEBI: CHEBI:53094
UNII: D36R5YLK6R
EC Number: 207-999-4
Nikkaji: J182.256J

물성

구조 계산 물성

XLogP: -0.8
극성 표면적: 24.4 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 0
무거운 원자 수: 5
형식 전하: 0
복잡도: 48

물리화학적 성질

녹는점: 55 °C · 55°C
끓는 점: 111.55 °C · 111.55°C (rough estimate)
밀도: 0.8304 · 0.8304 (rough estimate)
굴절률: 1.4796 · 1.4796 (estimate)
산도 계수 (pKa): 10.9 · 10.90±0.40(Predicted)
EPA: 1 H-Imidazole, · 1H-Imidazole, 4,5-dihydro- (504-75-6)

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H361 (100%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]

P203, P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P318, P321, P330, P363, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Corr. 1B (100%)；Repr. 2 (100%)

안전 데이터

tsca: TSCA listed

화학 및 산업

용도 및 제조

General Manufacturing Information1H-Imidazole, 4,5-dihydro-: ACTIVE

응용 분야 · 1건

용도4,5-Dihydro-1H-imidazole possesses inhibition effect on the crevice corrosion of N80 carbon steel; Also, it is derived from Formamide (F691480), which is a compound that is used in biochemistry to prevent RNA samples from degradation due to RNAses. Formamide is also used as a plasticizer to prepare thermoplastic starch (TPS), a special type of starch that can be mixed with other synthetic polymers because of its unique ability to “flow”.