3-클로로-1-메틸-1H-피라졸-5-카르복실산

3-chloro-1-methyl-1H-pyrazole-5-carboxylic acid

HCID 18970459

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 173841-02-6
표준 SMILES: Cn1nc(Cl)cc1C(=O)O
InChIKey: CSKGTUGORXMNNS-UHFFFAOYSA-N
분자식: C5H5ClN2O2
평균 분자량: 160.56 g/mol
단동위원소 질량: 160.00395508

개요

induces systemic acquired resistance in tobacco; structure in first source

이름 및 식별자

우선 이름: 3-chloro-1-methyl-1H-pyrazole-5-carboxylic acid
IUPAC: 3-chloro-1-methylpyrazole-5-carboxylic acid
현지명: 3-클로로-1-메틸-1H-피라졸-5-카르복실산
영어명: 3-Chloro-1-methyl-1H-pyrazole-5-carboxylic acid
분자식: C5H5ClN2O2
분자량: 160.56

이름 및 동의어

3-CHLORO-1-METHYL-1H-PYRAZOLE-5-CARBOXYLIC ACID173841-02-6DTXSID90596987CMPA cpdRefChem:93367DTXCID00547748960-344-0MFCD196879141H-Pyrazole-5-carboxylic acid, 3-chloro-1-methyl-5-CHLORO-2-METHYLPYRAZOLE-3-CARBOXYLIC ACIDSCHEMBL1915166CHEMBL2269079

이름 더 보기

3-클로로-1-메틸-1H-피라졸-5-카르복실산5-Chloro-2-methyl-2H-pyrazole-3-carboxylic acid

5-Chloro-2-methyl-pyrazole-3-carboxylic acidAMY33715AKOS022185980PB35003AS-38352SY097823DB-3311313-chloro-1-methylpyrazole-5-carboxylic acid

데이터베이스 식별자

CAS: 173841-02-6
PubChem CID: 18970459
DTXSID: DTXSID90596987
ChEMBL: CHEMBL2269079
EC Number: 960-344-0
Nikkaji: J1.982.773I

물성

구조 계산 물성

XLogP: 1.1
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

저장 조건: 2 · 2-8°C

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

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)

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