1,3,5-트리메틸-1H-피라졸-4-카르복스알데히드

1,3,5-trimethyl-1H-pyrazole-4-carboxaldehyde

HCID 736515

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 2644-93-1
표준 SMILES: Cc1nn(C)c(C)c1C=O
InChIKey: HMTUBXVXHHITGO-UHFFFAOYSA-N
분자식: C7H10N2O
평균 분자량: 138.17 g/mol
단동위원소 질량: 138.07931295

이름 및 식별자

우선 이름: 1,3,5-trimethyl-1H-pyrazole-4-carboxaldehyde
IUPAC: 1,3,5-trimethylpyrazole-4-carbaldehyde
현지명: 1,3,5-트리메틸-1H-피라졸-4-카르복스알데히드
영어명: 1,3,5-Trimethyl-1H-pyrazole-4-carboxaldehyde
분자식: C7H10N2O
분자량: 138.17

이름 및 동의어

1,3,5-Trimethyl-1H-pyrazole-4-carboxaldehydeRefChem:412650681-755-91,3,5-trimethyl-1H-pyrazole-4-carbaldehyde2644-93-11,3,5-trimethylpyrazole-4-carbaldehydeMFCD001596231H-Pyrazole-4-carboxaldehyde, 1,3,5-trimethyl-1,3,5-Trimethylpyrazole-4-carboxaldehyde4-formyl-1,3,5-trimethylpyrazole4-formyl-1,3,5-trSCHEMBL211332

이름 더 보기

1,3,5-트리메틸-1H-피라졸-4-카르복스알데히드AKOS B006543AKOS PAO-0265AKOS BBS-00004498ART-CHEM-BB B006543TIMTEC-BB SBB0000124-Formyl-1,3,5-trimethyl-1H-pyrazole1,3,5-TriMethyl-4-pyrazolecarboxaldehyde

DTXSID70353050HMTUBXVXHHITGO-UHFFFAOYSA-NALBB-000091CL3486SBB000012STK299972AKOS000206803CS-W016491

데이터베이스 식별자

CAS: 2644-93-1
PubChem CID: 736515
DTXSID: DTXSID70353050
EC Number: 681-755-9
Nikkaji: J3.305.098D

물성

구조 계산 물성

XLogP: 0.5
극성 표면적: 34.9 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 10
형식 전하: 0
복잡도: 138

물리화학적 성질

녹는점: 71 °C · 71 °C
끓는 점: 132 °C/12mm · 132°C/12mm
밀도: 1.09 · 1.09±0.1 g/cm3(Predicted)
인화점: 132 °C/12mm · 132°C/12mm
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
산도 계수 (pKa): 1.22 · 1.22±0.10(Predicted)
물리적 상태: 결정질 고체
색상: 연노랑
InChI: 1S/C7H10N2O/c1-5-7(4-10)6(2)9(3)8-5/h4H,1-3H3
InChIKey: HMTUBXVXHHITGO-UHFFFAOYSA-N
SMILES: Cc1nn(C)c(C)c1C=O

화학적 성질

Light yellow powder

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (20%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；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, 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 5 reports by companies from 2 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 (20%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

안전 데이터

wgk: WGK 3
HS 번호: 29331990
risk_code: 36/37/38-22
hazard_code: Xi,Xn
safety_code: 26-36/37/39-24/25-22-37
위험 등급: IRRITANT
Hazard Classifications: Acute Tox. 4 Oral
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도1,3,5-Trimethyl-1H-pyrazole-4-carboxaldehyde is used as organic chemical synthesis intermediate.

상·하류 제품 정보

상류 원료

공급사91 곳

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]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

上海炎泽化工有限公司15345144255 19975051755 · [email protected]

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

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