에틸3-메틸-1H-피라졸-5-카르복실레이트

Ethyl 5-methyl-1H-pyrazole-3-carboxylate

HCID 77645

기본 정보

CAS
4027-57-0
표준 SMILES
CCOC(=O)c1cc(C)[nH]n1
InChIKey
BOTXQJAHRCGJEG-UHFFFAOYSA-N
분자식
C7H10N2O2
평균 분자량
154.17 g/mol
단동위원소 질량
154.07422757

이름 및 식별자

우선 이름
Ethyl 5-methyl-1H-pyrazole-3-carboxylate
IUPAC
ethyl 5-methyl-1H-pyrazole-3-carboxylate
현지명
에틸3-메틸-1H-피라졸-5-카르복실레이트
영어명
Ethyl 3-methyl-1H-pyrazole-5-carboxylate
분자식
C7H10N2O2
분자량
154.17

이름 및 동의어

Ethyl 5-methyl-1H-pyrazole-3-carboxylateEINECS 223-702-0DTXSID50193259NSC 44006NSC 62433RefChem:595815DTXCID10115750223-702-04027-57-0Ethyl 3-methyl-1H-pyrazole-5-carboxylateEthyl 3-methylpyrazole-5-carboxylate1226862-09-4
이름 더 보기
에틸3-메틸-1H-피라졸-5-카르복실레이트AKOS PAO-0427BUTTPARK 29\06-793-methylpyrazole-5-ethyl formate3-Ethoxycarbonyl-5-methylpyrazoleETHYL 3-METHYL-5-PYRAZOLECARBOXYLATEEthyl3-Methylpyrazole-5-carboxylate>
1H-Pyrazole-3-carboxylic acid, 5-methyl-, ethyl ester5-Methyl-1H-pyrazole-3-carboxylic acid ethyl esterMFCD000525145-Methyl-2H-pyrazole-3-carboxylic acid ethyl esterEthyl 5-methylpyrazole-3-carboxylateUNII-55U2A7EN9X55U2A7EN9XCHEMBL4635398

데이터베이스 식별자

CAS
4027-57-0
PubChem CID
77645
DTXSID
DTXSID50193259
ChEMBL
CHEMBL4635398
UNII
55U2A7EN9X
EC Number
223-702-0
Nikkaji
J217.843E、J479.011A

물성

구조 계산 물성

XLogP
1.2
극성 표면적
55 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
3
회전 가능 결합 수
3
무거운 원자 수
11

물리화학적 성질

녹는점
80 · 80-84 °C (lit.)
끓는 점
299.1 · 299.1±20.0 °C(Predicted)
밀도
1.171 · 1.171±0.06 g/cm3(Predicted)
저장 조건
Sealed in dry,Room Temperature
물리적 상태
powder to crystal
산도 계수 (pKa)
11.6 · 11.60±0.10(Predicted)

화학적 성질

White to yellow solid

안전 및 규제

GHS 분류

GHS Classification · 6건

This chemical does not meet GHS hazard criteria for 25% (1 of 4) of reports.

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 (25%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (25%): Harmful in contact with skin [Warning Acute toxicity, dermal];H315 (75%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (75%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H332 (25%): Harmful if inhaled [Warning Acute toxicity, inhalation];H335 (75%): 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.;Reported as not meeting GHS hazard criteria per 1 of 4 reports by companies.;There are 3 notifications provided by 3 of 4 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

Hazard Classes and CategoriesAcute Tox. 4 (25%);Acute Tox. 4 (25%);Skin Irrit. 2 (75%);Eye Irrit. 2A (75%);Acute Tox. 4 (25%);STOT SE 3 (75%)

안전 데이터

wgk
3
HS 번호
29331990
risk_code
36/37/38
hazard_code
Xi
safety_code
26-37/39
위험 등급
IRRITANT

화학 및 산업

응용 분야

용도Ethyl 3-Methyl-5-pyrazolecarboxylate is a useful synthetic intermediate. It is used to prepare tetrahydroisoquinoline amide substituted Ph pyrazoles as selective Bcl-2 inhibitors. It is also studies as a hypolipidemic agent.

일반 설명Ethyl 3-methylpyrazole-5-carboxylate can be prepared by reacting ethyl acetylpyruvate and hydrazine.

공급사100 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]
爱斯特(成都)生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

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19건

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