3-메틸-1H-피라졸-4-카르발데하이드

3-methyl-1H-pyrazole-4-carbaldehyde

HCID 178434550
노트반응
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기본 정보

CAS
112758-40-4
표준 SMILES
Cc1n[nH]cc1C=O
InChIKey
NWDMGTFNIOCVDU-UHFFFAOYSA-N
분자식
C5H6N2O
평균 분자량
110.11 g/mol
단동위원소 질량
110.04801282

이름 및 식별자

우선 이름
3-methyl-1H-pyrazole-4-carbaldehyde
IUPAC
5-methyl-1H-pyrazole-4-carbaldehyde
현지명
3-메틸-1H-피라졸-4-카르발데하이드
영어명
3-Methyl-1H-pyrazole-4-carbaldehyde
분자식
C5H6N2O
분자량
110.11

이름 및 동의어

3-methyl-1H-pyrazole-4-carbaldehyde112758-40-4DTXSID80375001RefChem:280689DTXCID60326031681-304-65-methyl-1H-pyrazole-4-carbaldehyde3-Methyl-1H-pyrazole-4-carboxaldehyde3-Methylpyrazole-4-carbaldehydeMFCD013138224-Formyl-3-methylpyrazole3-methyl-4-formylpyra-zole
이름 더 보기
3-메틸-1H-피라졸-4-카르발데하이드AKOS PAO-0285AKOS BBS-000075111-Methyl Pyrazole-4-Aldehyde4-Formyl-3-methyl-1H-pyrazole3-Methylpyrazole-4-carboxaldehyde3-Methyl-1H-pyrazol-4-carbaldehyde3-methyl-2H-pyrazole-4-carbaldehyde
AKOS0041210351395070-81-1PB32235PS-56931H-pyrazole-4-carboxaldehyde, 5-methyl-3-Methyl-1H-pyrazole-4-carboxaldehyde, 97%F8887-21175-methylpyrazole-4-carbaldehyde

데이터베이스 식별자

CAS
112758-40-4
PubChem CID
2760056

물성

구조 계산 물성

XLogP
0.1
극성 표면적
45.8 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
2
회전 가능 결합 수
1
무거운 원자 수
8

물리화학적 성질

녹는점
107 · 107-108.5°C
끓는 점
295.9 · 295.9±20.0 °C(Predicted)
밀도
1.238 · 1.238±0.06 g/cm3(Predicted)
저장 조건
2 · 2-8°C
산도 계수 (pKa)
12.21 · 12.21±0.50(Predicted)
물리적 상태
powder to crystal

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (88.6%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (13.6%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (13.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (11.4%): 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, 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 44 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 (88.6%)；Skin Irrit. 2 (13.6%)；Eye Irrit. 2A (13.6%)；STOT SE 3 (11.4%)

안전 데이터

wgk
3
HS 번호
29331990
risk_code
22-36/37/38
hazard_code
Xi,Xn
safety_code
26-37
위험 등급
IRRITANT

화학 및 산업

상·하류 제품 정보

공급사100 곳

阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]

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