5-클로로-1,3-다이메틸-4-니트로-1H-피라졸

5-Chloro-1,3-dimethyl-4-nitro-1H-pyrazole

HCID 279515

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 13551-73-0
표준 SMILES: Cc1nn(C)c(Cl)c1[N+](=O)[O-]
InChIKey: WBMBDRIOUHCVAS-UHFFFAOYSA-N
분자식: C5H6ClN3O2
평균 분자량: 175.57 g/mol
단동위원소 질량: 175.01485411

이름 및 식별자

우선 이름: 5-Chloro-1,3-dimethyl-4-nitro-1H-pyrazole
IUPAC: 5-chloro-1,3-dimethyl-4-nitropyrazole
현지명: 5-클로로-1,3-다이메틸-4-니트로-1H-피라졸
영어명: 5-Chloro-1,3-dimethyl-4-nitro-1H-pyrazole
분자식: C5H6ClN3O2
분자량: 175.57

이름 및 동의어

5-Chloro-1,3-dimethyl-4-nitro-1H-pyrazoleDTXSID40299411RefChem:534236DTXCID00250548640-495-613551-73-05-Chloro-1,3-dimethyl-4-nitropyrazoleMFCD000525341,3-Dimethyl-4-nitro-5-chloropyrazole5-Chloro-4-nitro-1,3-dimethylpyrazole1H-Pyrazole, 5-chloro-1,3-dimethyl-4-nitro-NSC130145

이름 더 보기

5-클로로-1,3-다이메틸-4-니트로-1H-피라졸BUTTPARK 37\11-595-chloro-1,3-dimethyl-4-nitropyrazole5-chloro-1,3-dimethyl-4-nitro-1H-pyrazole

1,3-Dimethyl-4-nitro-5-chloro-1H-pyrazoleSCHEMBL1730NAA55173SBB089094AKOS006228578AS-9974NSC-1301451,3-Dimethyl-4-nitro-5-chloro-1H-p

데이터베이스 식별자

CAS: 13551-73-0
PubChem CID: 279515
DTXSID: DTXSID40299411
EC Number: 640-495-6
Nikkaji: J1.375.952I

물성

구조 계산 물성

XLogP: 1.4
극성 표면적: 63.6 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 0
무거운 원자 수: 11
형식 전하: 0
복잡도: 172

물리화학적 성질

녹는점: 75 °C · 75 °C
끓는 점: 275.7 · 275.7±35.0 °C(Predicted)
밀도: 1.55 · 1.55±0.1 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
산도 계수 (pKa): -2.84 · -2.84±0.10(Predicted)
BRN: 149733 · 149733

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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.