4-IODO-1-METHYL-1H-PYRAZOLE-5-카르복실산

4-Iodo-1-methyl-1H-pyrazole-5-carboxylic acid

HCID 673687CAS 75092-30-7

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Cn1ncc(I)c1C(=O)O
InChIKey: SZRMOKQNOJYMNK-UHFFFAOYSA-N
분자식: C5H5IN2O2
평균 분자량: 252.01 g/mol
단동위원소 질량: 251.9395754

이름 및 식별자

우선 이름: 4-Iodo-1-methyl-1H-pyrazole-5-carboxylic acid
IUPAC: 4-iodo-1-methylpyrazole-5-carboxylic acid
현지명: 4-IODO-1-METHYL-1H-PYRAZOLE-5-카르복실산
영어명: 4-IODO-1-METHYL-1H-PYRAZOLE-5-CARBOXYLIC ACID
분자식: C5H5IN2O2
분자량: 252.01

이름 및 동의어

4-iodo-1-methyl-1H-pyrazole-5-carboxylic acid75092-30-7DTXSID60350098RefChem:293490DTXCID80301168640-130-04-iodo-1-methylpyrazole-5-carboxylic acid4-iodo-2-methylpyrazole-3-carboxylic acidMFCD004611214-Iodo-2-methyl-2H-pyrazole-3-carboxylic acid1h-pyrazole-5-carboxylic acid, 4-iodo-1-methyl-IFLab1_001913

이름 더 보기

4-IODO-1-METHYL-1H-PYRAZOLE-5-카르복실산4-Iodo-1-methylpyrazole-5-carboxylicAcid>4-IODO-1-METHYL-1H-PYRAZOLE-5-CARBOXYLIC ACID4-Iodo--1-methyl-1H-pyrazol-5-carboxylic acid4-Iodo-1-methyl-1H-pyrazole-5-carboxylicacid98%4-Iodo-1-methyl-1H-pyrazole-5-carboxylic acid 98%4-iodo-1-methyl-1H-pyrazole-5-carboxylic acid(SALTDATA: FREE)5-Carboxy-4-iodo-1-methyl-1H-pyrazole, 4-Iodo-2-methyl-2H-pyrazole-3-carboxylic acid

HMS1417G21AKOS000302042RS-0310SY033485I0786EN300-83506SR-01000407658-1Z275170124

데이터베이스 식별자

CAS: 75092-30-7
PubChem CID: 673687
DTXSID: DTXSID60350098
EC Number: 640-130-0
Nikkaji: J944.292H

물성

구조 계산 물성

XLogP: 0.7
극성 표면적: 55.1 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 10
형식 전하: 0
복잡도: 153

물리화학적 성질

녹는점: 242 °C · 242°C(lit.)
끓는 점: 362.2 · 362.2±27.0 °C(Predicted)
밀도: 2.26 · 2.26±0.1 g/cm3(Predicted)
저장 조건: 2 · 2-8°C(protect from light)
물리적 상태: powder to crystal
산도 계수 (pKa): 1.76 · 1.76±0.37(Predicted)
색상: 흰색에서 거의 흰색

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)

Aggregated GHS information provided per 5 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.