5-Amino-3-methyl-1-phenylpyrazole (HCID 70801)

이름 및 식별자

우선 이름: 5-Amino-3-methyl-1-phenylpyrazole
IUPAC: 5-methyl-2-phenylpyrazol-3-amine
현지명: 5-아미노-3-메틸-1-페닐파이라졸
영어명: 5-Amino-3-methyl-1-phenylpyrazole
분자식: C10H11N3
분자량: 173.21

이름 및 동의어

1131-18-65-Amino-3-methyl-1-phenylpyrazole1H-Pyrazol-5-amine, 3-methyl-1-phenyl-X6087GEB2PRefChem:438920214-463-33-Methyl-1-phenyl-1H-pyrazol-5-amine1-Phenyl-3-methyl-5-aminopyrazole5-Methyl-2-phenyl-2H-pyrazol-3-ylamine5-methyl-2-phenylpyrazol-3-amineMFCD00020727Pyrazole, 5-amino-3-methyl-1-phenyl-

이름 더 보기

5-아미노-3-메틸-1-페닐파이라졸5-아미노-3-메틸-1-페닐피라졸3-methyl-1-phenyl-1h-pyrazol-5-amin-1-phenyLAKOS B0230095-Amino-3-methyLBUTTPARK 30\03-90TIMTEC-BB SBB003817ART-CHEM-BB B0230095-Amino-3-methyl-1-p5-AMINO-3-METHYL-PHENYLPYRAZOLE

DTXSID60445171-PHENYL-3-METHYL-5-AMINO PYRAZOLE1H-Pyrazole-5-amine, 3-methyl-1-phenyl-3-methyl-1-phenylpyrazole-5-ylamineF3095-47853-methyl-1-phenyl-1H-pyrazol-5-ylamine3-Methyl-1-phenylpyrazol-5-ylamineEINECS 214-463-3

데이터베이스 식별자

CAS: 1131-18-6
PubChem CID: 70801
DTXSID: DTXSID6044517
ChEMBL: CHEMBL1604278
UNII: X6087GEB2P
EC Number: 214-463-3
Nikkaji: J40.200A

물성

구조 계산 물성

XLogP: 1.9
극성 표면적: 43.8 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 13
형식 전하: 0
복잡도: 166

실험 및 물리화학적 성질

LogP1.25

Collision Cross Section136.1 Å² [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID6044517]

물리화학적 성질

녹는점: 114 · 114-117 °C (lit.)
끓는 점: 333 °C · 333 °C
밀도: 1.2894 · 1.2894 (rough estimate)
증기압: 0.006 Pa · 0.006Pa at 25℃
굴절률: 1.625 · 1.6250 (estimate)
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
산도 계수 (pKa): 3.88 · 3.88±0.10(Predicted)
물리적 상태: 고체
색상: 노란색에서 옅은 갈색까지
수용성: 6.051 g/L · 6.051g/L at 25℃
InChI: InChI=1S/C10H11N3/c1-8-7-10(11)13(12-8)9-5-3-2-4-6-9/h2-7H,11H2,1H3
InChIKey: FMKMKBLHMONXJM-UHFFFAOYSA-N
SMILES: N1(C2=CC=CC=C2)C(N)=CC(C)=N1
LogP: 1.76 · 1.76
NIST: 1 H-Pyrazol-5-amine, · 1H-Pyrazol-5-amine, 3-methyl-1-phenyl-(1131-18-6)
EPA: 1 H-Pyrazol-5-amine, · 1H-Pyrazol-5-amine, 3-methyl-1-phenyl- (1131-18-6)

화학적 성질

Yellow crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 3.3% (2 of 61) of reports.

Warning

H302 (19.7%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P273, 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 61 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationStatus: Active Update: 17-01-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/19654

Hazard Classes and CategoriesAcute Tox. 4 (19.7%)

안전 데이터

wgk: 3
tsca: TSCA listed
rtecs: UQ4990000
독성: mouse,LD50,oral,1300mg/kg (1300mg/kg),BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)BEHAVIORAL: "HALLUCINATIONS, DISTORTED PERCEPTIONS",Personal Communication from LONZA Ltd., CH-4002, Basel, SwitzerlandVol. 03FEB1981,
HS 번호: 29331990
risk_code: 36/37/38-20/21/22
hazard_code: Xi,Xn
safety_code: 26-36
위험 등급: IRRITANT
기존화학 물질: KE-01471
위험 참고 사항: Harmful
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

용도 및 제조

General Manufacturing Information1H-Pyrazol-5-amine, 3-methyl-1-phenyl-: ACTIVE

응용 분야 · 2건

용도5-Amino-3-methyl-1-phenylpyrazole may be used to synthesize:substituted pyrazolespyrazolopyridine derivativespyrazolo[3,4,-b]pyridines

일반 설명5-Amino-3-methyl-1-phenylpyrazole is an aminopyrazole derivative. It reacts with 6-methyl-4-oxo-4H-[1]-benzopyran-3-carboxaldehyde to yield 5-(2-hydroxy-5-methylbenzoyl)-3-methyl-1-phenyl-1H-pyrazolo[3,4-b]pyridine and 2-methoxy-6-methyl-3-(3-methyl-1-phenylpyrazol-5-ylaminomethylene)chroman-4-one.

상·하류 제품 정보

상류 원료

하류 제품

황색 049 산염료 5-클로로-3-메틸-1-페닐피라졸 설파피라졸 Disperse Orange 56 황색 049 산염료 Direct Red 180 CHEMBRDG-BB 4023569

공급사50 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海恩氟佳科技有限公司15800445152 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

宁波君龙新材料有限公司0574 88552216 19032109277 · [email protected]

湖北宥澄新材料科技有限公司17764017698 13163370568 · [email protected]

연결된 노트

불러오는 중…

5-아미노-3-메틸-1-페닐파이라졸

기본 정보