1-에틸-1H-피라졸-4-카발데하이드

1-Ethyl-1H-pyrazole-4-carboxaldehyde

HCID 2758900

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 304903-10-4
표준 SMILES: CCn1cc(C=O)cn1
InChIKey: UMSDESWKSPAALM-UHFFFAOYSA-N
분자식: C6H8N2O
평균 분자량: 124.14 g/mol
단동위원소 질량: 124.06366288

이름 및 식별자

우선 이름: 1-Ethyl-1H-pyrazole-4-carboxaldehyde
IUPAC: 1-ethylpyrazole-4-carbaldehyde
현지명: 1-에틸-1H-피라졸-4-카발데하이드
영어명: 1-Ethyl-1H-pyrazole-4-carbaldehyde
분자식: C6H8N2O
분자량: 124.14

이름 및 동의어

304903-10-41-ethyl-1h-pyrazole-4-carboxaldehydeRefChem:432347673-177-01-Ethyl-1H-pyrazole-4-carbaldehyde1-ethylpyrazole-4-carbaldehyde1H-pyrazole-4-carboxaldehyde, 1-ethyl-MFCD02090888N-Ethyl-4-fomylpyrazole1-ethylpyrazole-4-carboxaldehydeSCHEMBL125993DTXSID10374547

이름 더 보기

1-에틸-1H-피라졸-4-카발데하이드e-4-carbaLAKOS B000402AKOS PAO-0266BUTTPARK 121\06-90CHEMBRDG-BB 4003132ART-CHEM-BB B000402TIMTEC-BB SBB0000031-Ethyl-4-formyl-1H-pyrazole1-ethyl-4-pyrazolecarboxaldehyde

ALBB-000102SBB000003STK313394AKOS000265783AB91816PS-4062AC-27329BP-11050

데이터베이스 식별자

CAS: 304903-10-4
PubChem CID: 2758900
DTXSID: DTXSID10374547
EC Number: 673-177-0

물성

구조 계산 물성

XLogP: 0
극성 표면적: 34.9 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 9
형식 전하: 0
복잡도: 105

물리화학적 성질

끓는 점: 72 °C/1.8mm · 72°C/1.8mm
밀도: 1.1 · 1.10±0.1 g/cm3(Predicted)
저장 조건: 2 · Inert atmosphere,2-8°C
산도 계수 (pKa): 0.19 · 0.19±0.10(Predicted)
물리적 상태: 액체
색상: Clear, dark yellow to orange
InChI: InChI=1S/C6H8N2O/c1-2-8-4-6(5-9)3-7-8/h3-5H,2H2,1H3
InChIKey: UMSDESWKSPAALM-UHFFFAOYSA-N
SMILES: N1(CC)C=C(C=O)C=N1

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): 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 (100%): 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 (100%)；Acute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；Acute Tox. 4 (100%)；STOT SE 3 (100%)

안전 데이터

HS 번호: 2933199090
hazard_code: Xi
위험 등급: IRRITANT

화학 및 산업

공급사100 곳

广州诚创生物科技有限公司18027266590 · [email protected]

北京华美互利生物化工010-56205725 · [email protected]

上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]

杭州鸿喜生物医药科技有限公司18989489206 · [email protected]

苏州启航生物科技有限公司18151111370 · [email protected]

화합물 노트

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