4-bromo-1-methyl-1H-pyrazole-5-carbaldehyde

HCID 2794634

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 473528-88-0
표준 SMILES: Cn1ncc(Br)c1C=O
InChIKey: GXAHYXQWHWDEDY-UHFFFAOYSA-N
분자식: C5H5BrN2O
평균 분자량: 189.01 g/mol
단동위원소 질량: 187.95852488

이름 및 식별자

우선 이름: 4-bromo-1-methyl-1H-pyrazole-5-carbaldehyde
IUPAC: 4-bromo-1-methylpyrazole-5-carbaldehyde
영어명: 4-BROMO-1-METHYL-1H-PYRAZOLE-5-CARBALDEHYDE
분자식: C5H5BrN2O
분자량: 189.01

이름 및 동의어

4-bromo-1-methyl-1H-pyrazole-5-carbaldehyde473528-88-0DTXSID50383279RefChem:290510DTXCID10334303817-042-84-bromo-2-methylpyrazole-3-carbaldehyde4-Bromo-1-methylpyrazole-5-carbaldehydeMFCD030743414-Bromo-2-methyl-2H-pyrazole-3-carbaldehydeAKOS0003082364-bromo-1-methylpyrazole-5-carboxaldehyde

이름 더 보기

AKOS B007395ART-CHEM-BB B0073954-Bromo-1-methylpyrazole-5-carbaldehyd4-Bromo-1-methyl-1H-pyrazol-5-carbaldehyde4-BROMO-2-METHYL-2 H-PYRAZOLE-3-CARBALDEHYDE

4-bromo-1-methyl-1h-pyrazole-5-carboxaldehyde1H-Pyrazole-5-carboxaldehyde, 4-bromo-1-methyl-AMY32901SCHEMBL568791GXAHYXQWHWDEDY-UHFFFAOYSA-NSBB020581STK301772AS-8345

데이터베이스 식별자

CAS: 473528-88-0
PubChem CID: 2794634
DTXSID: DTXSID50383279
EC Number: 817-042-8

물성

구조 계산 물성

XLogP: 0.7
극성 표면적: 34.9 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 9
형식 전하: 0
복잡도: 120

물리화학적 성질

녹는점: 102 · 102-103°C
끓는 점: 275.2 · 275.2±20.0 °C(Predicted)
밀도: 1.73 · 1.73±0.1 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
산도 계수 (pKa): -1.48 · -1.48±0.10(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.