1-Phenylpyrazole

HCID 70769CAS 1126-00-7
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
c1ccc(-n2cccn2)cc1
InChIKey
WITMXBRCQWOZPX-UHFFFAOYSA-N
분자식
C9H8N2
평균 분자량
144.17 g/mol
단동위원소 질량
144.06874826

개요

1-phenylpyrazole is a member of the class of pyrazoles that is 1H-pyrazole substituted by a phenyl group at position 1. It is a member of benzenes and a member of pyrazoles. It derives from a hydride of a 1H-pyrazole.

이름 및 식별자

우선 이름
1-Phenylpyrazole
IUPAC
1-phenylpyrazole
영어명
1-Phenylpyrazole
분자식
C9H8N2
분자량
144.17

이름 및 동의어

1-Phenylpyrazole1-Phenyl-1H-pyrazole1126-00-71H-Pyrazole, 1-phenyl-N-PhenylpyrazolePyrazole, 1-phenyl-EINECS 214-415-1CHEBI:38879DTXSID30150108NSC 65588RefChem:77009DTXCID7072599
이름 더 보기
AKOS B0305941-PHENYLPYRAZOL1-Phenylpyrazole>2-Phenyl-2H-pyrazole1-Phenylpyrazole,>97%1-Phenylpyrazole ,98%
214-415-1InChI=1/C9H8N2/c1-2-5-9(6-3-1)11-8-4-7-10-11/h1-8WITMXBRCQWOZPX-UHFFFAOYSA-NMFCD000031121-phenyl-pyrazoleUNII-SD5GA7KV5RSD5GA7KV5RCHEMBL316415

데이터베이스 식별자

CAS
1126-00-7
PubChem CID
70769
DTXSID
DTXSID30150108
ChEMBL
CHEMBL316415
ChEBI
CHEBI:38879
UNII
SD5GA7KV5R
EC Number
214-415-1
Nikkaji
J46.499F

물성

구조 계산 물성

XLogP
2.2
극성 표면적
17.8 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
1
회전 가능 결합 수
1
무거운 원자 수
11

실험 및 물리화학적 성질

SpringerMaterials Properties15N nuclear magnetic resonance spectrum
LogP2.2

물리화학적 성질

녹는점
11 °C · 11°C(lit.)
끓는 점
141 · 141-142 °C/30 mmHg (lit.)
밀도
1.091 g/mL · 1.091 g/mL at 25 °C (lit.)
굴절률
1.594 · 1.594-1.598
인화점
109 °C · 109°C
저장 조건
Sealed in dry,Room Temperature

화학적 성질

clear yellow to brown liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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.

유해성 정보

Regulatory Information1-Phenylpyrazole: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk
3
HS 번호
29339900
risk_code
36/37/38
hazard_code
Xi
safety_code
37/39-26
위험 등급
IRRITANT

화학 및 산업

응용 분야 · 2건

용도1-Phenylpyrazole has been used:in the preparation of 4,5-diphenylpyrazolo[1,5-a]quinoline, 1-(1,2,3,4-tetraphenylnaphthalen-5-yl)pyrazole and 1-(1,2,3,4,5,6,7,8-octaphenylanthracen-9-yl)pyrazoleas cyclometallated ligand in the preparation of new heteroleptic iridium(III) complexes

일반 설명1-Phenylpyrazole undergoes cyclometallation with rhodium trichloride to yield rac-di(μ-chloro)tetrakis[2-(pyrazol-1-yl)phenyl-C1,N2′]dirhodium. The activation of the C-H bond of 1-phenylpyrazole autocatalyzed by the co-product HOAc was studied.

상·하류 제품 정보

공급사50 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
西安凯美科新材料有限公司13720451009 13720451009 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

추가 설명

정의ChEBI: A member of the class of pyrazoles that is 1H-pyrazole substituted by a phenyl group at position 1.

관련 반응

57건
반응 기록 만들기

연결된 노트

불러오는 중…