1-Phenylimidazole (HCID 81595)

이름 및 식별자

우선 이름: 1-Phenylimidazole
IUPAC: 1-phenylimidazole
현지명: 1-페닐이미다졸
영어명: 1-Phenylimidazole
분자식: C9H8N2
분자량: 144.17

이름 및 동의어

1-Phenylimidazole7164-98-9N-PhenylimidazoleDTXSID10221885RefChem:435716DTXCID40144376627-543-11-Phenyl-1H-imidazolePhenylimidazole1H-Imidazole, 1-phenyl-MFCD00041204CHEMBL275066

이름 더 보기

1-페닐이미다졸1-Phenylimidazole>1-Phenylimidazole 97%1-Phenylimidazole,97%1-Phenylimidazole ,98%1-Phenyl-1H-imidazole 98%(1H-Imidazol-1-yl)benzene

1H-Imidazole, phenyl-Imidazole, 1-phenyl-N-(phenyl)imidazole1-Phenylimidazole, 97%SCHEMBL4511-Phenyl-1H-imidazole #SCHEMBL63013MLS001074869

데이터베이스 식별자

CAS: 7164-98-9
PubChem CID: 81595
DTXSID: DTXSID10221885
ChEMBL: CHEMBL275066
ChEBI: CHEBI:232094
EC Number: 627-543-1
Nikkaji: J271.230J

물성

구조 계산 물성

XLogP: 1.7
극성 표면적: 17.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 1
무거운 원자 수: 11
형식 전하: 0
복잡도: 119

실험 및 물리화학적 성질

Solubility19.7 [ug/mL] (The mean of the results at pH 7.4)

물리화학적 성질

녹는점: 13 °C · 13 °C (lit.)
끓는 점: 142 °C/15 · 142 °C/15 mmHg (lit.)
밀도: 1.14 g/mL · 1.14 g/mL at 25 °C (lit.)
굴절률: 1.599 · 1.599-1.601
인화점: 230 °F · >230 °F
저장 조건: Sealed in dry,Room Temperature
산도 계수 (pKa): 5.45 · 5.45±0.10(Predicted)
물리적 상태: 액체
색상: 맑은 노란색에서 노란색까지
Specific Gravity: 1.14 · 1.140
수용성: 물에 약간 용해됩니다.
BRN: 112356 · 112356
InChI: 1S/C9H8N2/c1-2-4-9(5-3-1)11-7-6-10-8-11/h1-8H
InChIKey: SEULWJSKCVACTH-UHFFFAOYSA-N
SMILES: c1ccc(cc1)-n2ccnc2
NIST: 1 H-Imidazole, · 1H-Imidazole, 1-phenyl-(7164-98-9)

화학적 성질

clear light yellow to yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (87%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (87%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (87%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (89.1%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (87%)；Acute Tox. 4 (87%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；Acute Tox. 4 (87%)；STOT SE 3 (89.1%)

안전 데이터

wgk: 3
HS 번호: 29332900
risk_code: 20/21/22-36/37/38
hazard_code: Xn,Xi
safety_code: 26-37/39
위험 등급: IRRITANT
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야 · 2건

용도1-Phenylimidazole is a suitable reagent used to investigate its effect on the citrulline formation by bovine brain nitric-oxide synthase.

일반 설명1-Phenylimidazole is an imidazole derivative. It induces 7-ethoxyresorufin-O-deethylase (EROD) activity in rainbow trout (Oncorhynchus mykiss) hepatocytes. The S(1)→S(0) transition of 1-phenylimidazole has been investigated in a supersonic jet expansion by resonant two-photon ionization. 1-Phenylimidazole is reported to be inhibitor of calmodulin-dependent nitric-oxide synthase from bovine brain and GHs pituitary cells.