2-Bromo-4-methyl-5-nitropyridine

HCID 345873CAS 23056-47-5

기본 정보

표준 SMILES: Cc1cc(Br)ncc1[N+](=O)[O-]
InChIKey: OSYUAHGEDKTDOX-UHFFFAOYSA-N
분자식: C6H5BrN2O2
평균 분자량: 217.02 g/mol
단동위원소 질량: 215.9534395

이름 및 식별자

우선 이름: 2-Bromo-4-methyl-5-nitropyridine
IUPAC: 2-bromo-4-methyl-5-nitropyridine
영어명: 2-Bromo-5-nitro-4-picoline
분자식: C6H5BrN2O2
분자량: 217.02

이름 및 동의어

2-Bromo-4-methyl-5-nitropyridine23056-47-5DTXSID00323367RefChem:85735DTXCID40274485674-939-52-bromo-5-nitro-4-picolinePYRIDINE, 2-BROMO-4-METHYL-5-NITRO-2-bromo-4-methyl-5-nitro-pyridineMFCD030950662-Bromo-4-Methyl-5-Nitro pyridine6-bromo-3-nitro-4-picoline

이름 더 보기

5-broMo-4-Methyl-2-nitropyridine2-bromo-4-methyl-5-broMo-4-Methyl-2-nitropy2-BroMo-5-nitro-4-picolin...2-BroMo-4-Methyl-5-nitropyridin2-BROMO-5-NITRO-4-METHYL PYRIDINE

SCHEMBL2107234NSC 403724bromo-4-methyNSC4037242-bromanyl-4-methyl-5-nitro-pyridineAM20050974FT-0638288A816534

데이터베이스 식별자

CAS: 23056-47-5
PubChem CID: 345873
DTXSID: DTXSID00323367
EC Number: 674-939-5

물성

구조 계산 물성

XLogP: 2.1
극성 표면적: 58.7 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 0
무거운 원자 수: 11
형식 전하: 0
복잡도: 159

물리화학적 성질

녹는점: 64 · 64-66°C
끓는 점: 294.2 · 294.2±35.0 °C(Predicted)
밀도: 1.709 · 1.709±0.06 g/cm3(Predicted)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: 메탄올에 용해됨
물리적 상태: powder to crystal
산도 계수 (pKa): -2.59 · -2.59±0.18(Predicted)
색상: White to Yellow to Green

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.