CAS 5744-40-1 1,3-Dimethyl-5-ethoxycarbonylpyrazole (HCID 138576)

기본 정보

CAS: 5744-40-1
표준 SMILES: CCOC(=O)c1cc(C)nn1C
InChIKey: ZYSGPOXVDOROJU-UHFFFAOYSA-N
분자식: C8H12N2O2
평균 분자량: 168.19 g/mol
단동위원소 질량: 168.08987763

이름 및 식별자

우선 이름: 1,3-Dimethyl-5-ethoxycarbonylpyrazole
IUPAC: ethyl 2,5-dimethylpyrazole-3-carboxylate
현지명: 에틸1,3-디메틸피라졸-5-카르복실레이트
영어명: Ethyl 1,3-dimethylpyrazole-5-carboxylate
분자식: C8H12N2O2
분자량: 168.19

이름 및 동의어

5744-40-11,3-dimethyl-5-ethoxycarbonylpyrazoleDTXSID90206054RefChem:414640DTXCID90128545Ethyl 1,3-dimethyl-1H-pyrazole-5-carboxylateETHYL 1,3-DIMETHYLPYRAZOLE-5-CARBOXYLATEethyl 2,5-dimethylpyrazole-3-carboxylateETHYL 1,3-DIMETHYL-5-PYRAZOLECARBOXYLATEMFCD002334521,3-dimethylpyrazole-5-carboxylic acid ethyl ester1H-PYRAZOLE-5-CARBOXYLIC ACID, 1,3-DIMETHYL-, ETHYL ESTER

이름 더 보기

에틸1,3-디메틸피라졸-5-카르복실레이트AKOS PAO-0382BUTTPARK 91\11-01RARECHEM AL BI 1315Ethyl1,3-Dimethylpyrazole-5-carboxylate>Ethyl 1,3-dimethylpyrazole-5-carboxylate 95%

BBL015946F2146-0643PB15679Ethyl 1,3-dimethyl-5-pyrazole carboxylateEthyl 1,3-dimethyl-1H-pyrazole-5-carboxylate, AldrichCPRSildenafil Impurity 236SCHEMBL1894879ZYSGPOXVDOROJU-UHFFFAOYSA-N

데이터베이스 식별자

CAS: 5744-40-1
PubChem CID: 138576
DTXSID: DTXSID90206054
EC Number: 692-366-9
Nikkaji: J479.012J

물성

구조 계산 물성

XLogP: 1.2
극성 표면적: 44.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 12
형식 전하: 0
복잡도: 172

물리화학적 성질

녹는점: 40 · 40-42 °C
끓는 점: 80 °C · 80°C 1mm
밀도: 1.12 · 1.12±0.1 g/cm3(Predicted)
굴절률: 1.479 to · 1.4790 to 1.4830
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
물리적 상태: 투명한 액체
산도 계수 (pKa): 1.03 · 1.03±0.10(Predicted)
색상: Light yellow to Yellow to Orange
InChI: InChI=1S/C8H12N2O2/c1-4-12-8(11)7-5-6(2)9-10(7)3/h5H,4H2,1-3H3
InChIKey: ZYSGPOXVDOROJU-UHFFFAOYSA-N
SMILES: N1(C)C(C(OCC)=O)=CC(C)=N1

화학적 성질

Colorless to light yellow liqui

안전 및 규제

GHS 분류

GHS Classification · 5건

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 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): 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.；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 (100%)；Eye Irrit. 2A (100%)；Acute Tox. 4 (25%)；STOT SE 3 (75%)

안전 데이터

HS 번호: 29331990
risk_code: 22-36/37/38
hazard_code: Xi,Xn
safety_code: 24/25-36/37/39-26-23
위험 등급: IRRITANT
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

상·하류 제품 정보

상류 원료

하류 제품

1,3-Dimethyl-1H-pyrazole-5-carbonitrile 5-이소시아나토-1,3-디메틸-1H-피라졸 2-Bromo-1-(1,3-dimethyl-1H-pyrazol-5-yl)ethanone 1,3-디메틸-1H-피라졸-5-카발데하이드 5-(클로로메틸)-1,3-디메틸-1H-피라졸 (1,3-DIMETHYL-1H-PYRAZOL-5-YL)메탄올 1,3-디메틸피라졸-5-카르복실산 1-(2,5-Dimethyl-2H-pyrazol-3-yl)-ethanone

화합물 노트

불러오는 중…

에틸1,3-디메틸피라졸-5-카르복실레이트