3,5-디메틸-1-페닐-1H-피라졸-4-카르발데하이드

1H-Pyrazole-4-carboxaldehyde, 3,5-dimethyl-1-phenyl-

HCID 89179CAS 22042-79-1

기본 정보

표준 SMILES
Cc1nn(-c2ccccc2)c(C)c1C=O
InChIKey
VOMRTQQGXWPTJK-UHFFFAOYSA-N
분자식
C12H12N2O
평균 분자량
200.24 g/mol
단동위원소 질량
200.09496301

이름 및 식별자

우선 이름
1H-Pyrazole-4-carboxaldehyde, 3,5-dimethyl-1-phenyl-
IUPAC
3,5-dimethyl-1-phenylpyrazole-4-carbaldehyde
현지명
3,5-디메틸-1-페닐-1H-피라졸-4-카르발데하이드
영어명
3,5-DIMETHYL-1-PHENYL-1H-PYRAZOLE-4-CARBALDEHYDE
분자식
C12H12N2O
분자량
200.24

이름 및 동의어

3,5-Dimethyl-1-phenyl-1H-pyrazole-4-carbaldehyde22042-79-11H-Pyrazole-4-carboxaldehyde, 3,5-dimethyl-1-phenyl-3,5-dimethyl-1-phenyl-1h-pyrazole-4-carboxaldehydeDTXSID9066756EINECS 244-750-9RefChem:439075DTXCID8036601244-750-93,5-dimethyl-1-phenylpyrazole-4-carbaldehydeMFCD000513963,5-Dimethyl-1-phenylpyrazole-4-carboxaldehyde
이름 더 보기
3,5-디메틸-1-페닐-1H-피라졸-4-카르발데하이드AKOS BBS-00002526TIMTEC-BB SBB003547OTAVA-BB BB7110952621Alitretinoin Impurity 93,5-dimethyl-1-phenyl-4-pyrazolecarboxaldehyde
1H-Pyrazole-4-carboxaldehyde,3,5-dimethyl-1-phenyl-3,5-dimethyl-1-phenyl-pyrazole-4-carbaldehyde3,5-dimethyl-4-formyl-1-phenylpyrazole3,5-dimethyl-1-phenyl-4-formylpyrazoleYP9D77F7PYMLS000769663AKOS PAO-0284AURORA 23355

데이터베이스 식별자

CAS
22042-79-1
PubChem CID
89179
DTXSID
DTXSID9066756
ChEMBL
CHEMBL1376252
UNII
YP9D77F7PY
EC Number
244-750-9
Nikkaji
J285.421J

물성

구조 계산 물성

XLogP
2.4
극성 표면적
34.9 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
2
회전 가능 결합 수
2
무거운 원자 수
15

실험 및 물리화학적 성질

Solubility23.1 [ug/mL] (The mean of the results at pH 7.4)

물리화학적 성질

녹는점
125 · 125-128 °C
끓는 점
337.96 °C · 337.96°C (rough estimate)
밀도
1.1131 · 1.1131 (rough estimate)
굴절률
1.666 · 1.6660 (estimate)
저장 조건
2 · under inert gas (nitrogen or Argon) at 2-8°C
용해도
메탄올,DMSO에 용해됨

화학적 성질

beige to buff powder

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302+H312+H332 (33.3%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation];H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (33.3%): 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 (33.3%): 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 3 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 CategoriesAcute Tox. 4 (33.3%);Acute Tox. 4 (33.3%);Skin Irrit. 2 (100%);Eye Irrit. 2A (100%);Acute Tox. 4 (33.3%);STOT SE 3 (100%)

안전 데이터

tsca
TSCA listed
HS 번호
29331990
risk_code
36/37/38-22
hazard_code
Xn,Xi
safety_code
36/37/39-26-22
위험 등급
IRRITANT

화학 및 산업

용도 및 제조

General Manufacturing Information1H-Pyrazole-4-carboxaldehyde, 3,5-dimethyl-1-phenyl-: ACTIVE

응용 분야

용도3,5-Dimethyl-4-formyl-1-phenylpyrazole (cas# 22042-79-1) is a compound useful in organic synthesis.

공급사41 곳

上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]

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8건

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