1-(4-브로모페닐)-1H-피라졸

1-(4-bromophenyl)-1H-pyrazole

HCID 10443564

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 13788-92-6
표준 SMILES: Brc1ccc(-n2cccn2)cc1
InChIKey: SQCVGDMTHFQUKS-UHFFFAOYSA-N
분자식: C9H7BrN2
평균 분자량: 223.07 g/mol
단동위원소 질량: 221.97926

이름 및 식별자

우선 이름: 1-(4-bromophenyl)-1H-pyrazole
IUPAC: 1-(4-bromophenyl)pyrazole
현지명: 1-(4-브로모페닐)-1H-피라졸
영어명: 1-(4-Bromophenyl)-1H-pyrazole
분자식: C9H7BrN2
분자량: 223.07

이름 및 동의어

1-(4-bromophenyl)-1H-pyrazole13788-92-6DTXSID00440008RefChem:424952DTXCID80390830692-252-91-(4-bromophenyl)pyrazole1-(4-Bromo-phenyl)-1H-pyrazoleMFCD08059318AKOS000178725AS-5193SY028683

이름 더 보기

1-(4-브로모페닐)-1H-피라졸1-(4-Bromophenyl)-1HH-pyrazole1-(4-Bromophenyl)-1H-pyrazole - [B93227]

1-(4-Bromophenyl)-1H-pyrazole, AldrichCPRCS-0155613EN300-67288F30993(4-bromophenyl)pyrazoleSCHEMBL482303SCHEMBL27586495SQCVGDMTHFQUKS-UHFFFAOYSA-

데이터베이스 식별자

CAS: 13788-92-6
PubChem CID: 10443564
DTXSID: DTXSID00440008
EC Number: 692-252-9
Nikkaji: J2.115.090H

물성

구조 계산 물성

XLogP: 2.9
극성 표면적: 17.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 1
무거운 원자 수: 12
형식 전하: 0
복잡도: 143

물리화학적 성질

녹는점: 71 · 71-72 °C(Solv: ethanol (64-17-5))
끓는 점: 65 °C · 65 °C(Press: 0.01 Torr)
밀도: 1.5 · 1.50±0.1 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
물리적 상태: solid
산도 계수 (pKa): -0.12 · -0.12±0.10(Predicted)
InChI: 1S/C9H7BrN2/c10-8-2-4-9(5-3-8)12-7-1-6-11-12/h1-7H
InChIKey: SQCVGDMTHFQUKS-UHFFFAOYSA-N
SMILES: Brc1ccc(cc1)-n2cccn2

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302+H312+H332 (25%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]；H302 (75%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (25%): 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 (25%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): 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 4 reports by companies from 4 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.