1-(4-니트로페닐)-3-메틸-5-피라졸론

3H-Pyrazol-3-one, 2,4-dihydro-5-methyl-2-(4-nitrophenyl)-

HCID 80816CAS 6402-09-1

기본 정보

표준 SMILES
CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1
InChIKey
MYPAMGFTHVEING-UHFFFAOYSA-N
분자식
C10H9N3O3
평균 분자량
219.2 g/mol
단동위원소 질량
219.06439116

이름 및 식별자

우선 이름
3H-Pyrazol-3-one, 2,4-dihydro-5-methyl-2-(4-nitrophenyl)-
IUPAC
5-methyl-2-(4-nitrophenyl)-4H-pyrazol-3-one
현지명
1-(4-니트로페닐)-3-메틸-5-피라졸론
영어명
1-(4-Nitrophenyl)-3-methyl-5-pyrazolone
분자식
C10H9N3O3
분자량
219.2

이름 및 동의어

3H-Pyrazol-3-one, 2,4-dihydro-5-methyl-2-(4-nitrophenyl)-2-Pyrazolin-5-one, 3-methyl-1-(p-nitrophenyl)-3-Methyl-1-(4-nitrophenyl)-5-pyrazoloneAI3-61060DTXSID7064312EINECS 229-018-9NSC 15353RefChem:505779DTXCID30441782-Pyrazolin-5-one, 3-methyl-1-(p-nitrophenyl)-(8CI)229-018-96402-09-1
이름 더 보기
1-(4-니트로페닐)-3-메틸-5-피라졸론COUPLER 2BAKOS AUF21111-(P-NITROPHENYL)-3-METHYL-5-PYRAZOLONE1-(4-Nitrophenyl)-3-methyl-5-pyrazolone1-(4-Nitrophenyl)-3-methyl-5-pyrazolone>3-Methyl-1-(p-nitrophenyl)-5(4H)-pyrazolone1-(4-Nitrophenyl)-3-methyl-5(4H)-pyrazolone5-methyl-2-(4-nitrophenyl)-3-pyrazol-2-iumone
5-Methyl-2-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one5-methyl-2-(4-nitrophenyl)-4H-pyrazol-3-oneMFCD00020751MLS0026384253-methyl-1-(4-nitrophenyl)-1H-pyrazol-5(4H)-oneNSC-153531-(4-nitrophenyl)-3-methyl-2-pyrazolin-5-one3-methyl-1-(4-nitrophenyl)-2-pyrazolin-5-one

데이터베이스 식별자

CAS
6402-09-1
PubChem CID
80816
DTXSID
DTXSID7064312
ChEMBL
CHEMBL220283
UNII
B9SDZ9U3E8
EC Number
229-018-9
Nikkaji
J40.181A

물성

구조 계산 물성

XLogP
1.1
극성 표면적
78.5 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
4
회전 가능 결합 수
1
무거운 원자 수
16

물리화학적 성질

녹는점
220 · 220-225 °C
끓는 점
360 °C · 360°C (rough estimate)
밀도
1.3284 · 1.3284 (rough estimate)
굴절률
1.483 · 1.4830 (estimate)
저장 조건
Sealed in dry,Room Temperature
물리적 상태
powder to crystal

화학적 성질

yellow to brown crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 6건

This chemical does not meet GHS hazard criteria for 15.6% (7 of 45) of reports.

Warning

H302 (84.4%): Harmful if swallowed [Warning Acute toxicity, oral];H317 (84.4%): May cause an allergic skin reaction [Warning Sensitization, Skin]

P261, P264, P270, P272, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 7 of 45 reports by companies.;There is 1 notification provided by 38 of 45 reports by companies with hazard statement code(s).;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

Regulatory InformationStatus: Active Update: 14-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/25605
Hazard Classes and CategoriesAcute Tox. 4 (84.4%);Skin Sens. 1 (84.4%)

규제 정보

Regulatory InformationStatus: Active Update: 14-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/25605

안전 데이터

tsca
TSCA listed
HS 번호
2933.19.4300
risk_code
22
hazard_code
Xn

화학 및 산업

용도 및 제조

General Manufacturing Information3H-Pyrazol-3-one, 2,4-dihydro-5-methyl-2-(4-nitrophenyl)-: INACTIVE

공급사45 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
宁波君龙新材料有限公司0574 88552216 19032109277 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
毕佳索(上海毕得医药科技股份有限公司)400-6005915 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]

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4건

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