1H-Imidazole-4-carbaldehyde

HCID 76428CAS 3034-50-2

기본 정보

표준 SMILES: O=Cc1cnc[nH]1
InChIKey: ZQEXIXXJFSQPNA-UHFFFAOYSA-N
분자식: C4H4N2O
평균 분자량: 96.089 g/mol
단동위원소 질량: 96.03236275

이름 및 식별자

우선 이름: 1H-Imidazole-4-carbaldehyde
IUPAC: 1H-Imidazole-5-carbaldehyde
영어명: 1H-Imidazole-4-carbaldehyde
분자식: C4H4N2O
분자량: 96.09

이름 및 동의어

1H-Imidazole-5-carbaldehyde4-FORMYLIMIDAZOLEImidazole-4-carbaldehyde4-IMIDAZOLECARBOXALDEHYDEIMIDAZOLE-4-CARBOXALDEHYDE4-imidazole formaldehyde4(5)-IMIDAZOLECARBOXALDEHYDE1H-IMIDAZOLE-4-CARBOXALDEHYDEFPFFecarboxaL

데이터베이스 식별자

CAS: 3034-50-2
PubChem CID: 76428
DTXSID: DTXSID70184427
UNII: DWG32KT6XA
EC Number: 221-227-3
Nikkaji: J205.342J

물성

구조 계산 물성

XLogP: -0.1
극성 표면적: 45.8 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 7
형식 전하: 0
복잡도: 74

물리화학적 성질

녹는점: 174 · 174-177 °C (lit.)
끓는 점: 367.8 · 367.8±15.0 °C(Predicted)
밀도: 1.322 · 1.322±0.06 g/cm3(Predicted)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: DMSO, 메탄올에 용해됩니다.
산도 계수 (pKa): 11.05 · 11.05±0.10(Predicted)
물리적 상태: 고체
색상: 베이지색
InChI: InChI=1S/C4H4N2O/c7-2-4-1-5-3-6-4/h1-3H,(H,5,6)
InChIKey: ZQEXIXXJFSQPNA-UHFFFAOYSA-N
SMILES: C1NC(C=O)=CN=1

화학적 성질

White to light yellow powder

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (98%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (98%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (96%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 50 reports by companies from 9 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 CategoriesSkin Irrit. 2 (98%)；Eye Irrit. 2 (98%)；STOT SE 3 (96%)

안전 데이터

wgk: 3
HS 번호: 29332900
risk_code: 36/37/38-20/21/22
hazard_code: Xi,Xn
safety_code: 26-36-36/37/39
위험 참고 사항: Irritant
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

공급사50 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]

衢州润东化工有限公司0570-8789886 18892685668 · [email protected]

上海恩氟佳科技有限公司15800445152 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

연결된 노트

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