4-페닐-1H-피라졸-3-일라민

4-Phenyl-1H-pyrazol-5-amine

HCID 79703

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 5591-70-8
표준 SMILES: Nc1[nH]ncc1-c1ccccc1
InChIKey: QEHKQNYBBLCFIJ-UHFFFAOYSA-N
분자식: C9H9N3
평균 분자량: 159.19 g/mol
단동위원소 질량: 159.0796473

이름 및 식별자

우선 이름: 4-Phenyl-1H-pyrazol-5-amine
IUPAC: 4-phenyl-1H-pyrazol-5-amine
현지명: 4-페닐-1H-피라졸-3-일라민
영어명: 4-Phenyl-1H-pyrazol-3-ylamine
분자식: C9H9N3
분자량: 159.19

이름 및 동의어

4-phenyl-1H-pyrazol-5-amine4-phenyl-1H-pyrazol-3-amine57999-06-1RefChem:526340664-108-55591-70-83-amino-4-phenyl-1h-pyrazole3-amino-4-phenylpyrazole4-Phenyl-1H-pyrazol-3-ylamine4-Phenyl-2H-pyrazol-3-ylamineMFCD002317971H-pyrazol-5-amine, 4-phenyl-

이름 더 보기

4-페닐-1H-피라졸-3-일라민3-amino-4-phenyl-pyrazol5H-041skf1572GL-0664USAF EL-34ZINC04234984ZINC00169443SMR000309623

BRN 07427743-amino-4-phenyl-pyrazole5-AMINO-4-PHENYL-1H-PYRAZOLECHEMBL1391894HMS2596A07HMS3381C09F3250-0605CS-10738

데이터베이스 식별자

CAS: 5591-70-8、57999-06-1
PubChem CID: 79703
DTXSID: DTXSID10204512
ChEMBL: CHEMBL1391894
EC Number: 664-108-5、676-611-7
Nikkaji: J1.916.333D、J51.196J

물성

구조 계산 물성

XLogP: 1.5
극성 표면적: 54.7 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 12
형식 전하: 0
복잡도: 143

물리화학적 성질

녹는점: 170 · 170-173℃
끓는 점: 394.4 · 394.4±30.0 °C(Predicted)
밀도: 1.238 · 1.238±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
산도 계수 (pKa): 15.22 · 15.22±0.50(Predicted)
물리적 상태: 고체
색상: 베이지색
InChI: InChI=1S/C9H9N3/c10-9-8(6-11-12-9)7-4-2-1-3-5-7/h1-6H,(H3,10,11,12)
InChIKey: QEHKQNYBBLCFIJ-UHFFFAOYSA-N
SMILES: N1C=C(C2=CC=CC=C2)C(N)=N1

안전 및 규제

GHS 분류

GHS Classification · 6건

Warning

H302 (90.7%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；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, 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 43 reports by companies from 3 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 Categories · 2건

Acute Tox. 4 (97.5%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

Acute Tox. 4 (90.7%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

안전 데이터

wgk: 3
HS 번호: 2933199090
risk_code: 22-36/37/38
hazard_code: C,Xn
safety_code: 26
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

공급사35 곳

杭州品高化工有限公司0571-87658025 · [email protected]

上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]

杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]

화합물 노트

불러오는 중…