2-Bromo-3-methyl-5-nitropyridine

HCID 5200466CAS 23132-21-0

기본 정보

표준 SMILES: Cc1cc([N+](=O)[O-])cnc1Br
InChIKey: FZIQHPKXSLHGBZ-UHFFFAOYSA-N
분자식: C6H5BrN2O2
평균 분자량: 217.02 g/mol
단동위원소 질량: 215.9534395

이름 및 식별자

우선 이름: 2-Bromo-3-methyl-5-nitropyridine
IUPAC: 2-bromo-3-methyl-5-nitropyridine
영어명: 2-Bromo-3-methyl-5-nitropyridine
분자식: C6H5BrN2O2
분자량: 217.02

이름 및 동의어

2-Bromo-3-methyl-5-nitropyridine23132-21-0FZIQHPKXSLHGBZ-UHFFFAOYSA-DTXSID10409464RefChem:85678DTXCID80360316677-832-1InChI=1/C6H5BrN2O2/c1-4-2-5(9(10)11)3-8-6(4)7/h2-3H,1H32-Bromo-5-nitro-3-picolinePyridine, 2-bromo-3-methyl-5-nitro-MFCD030950652-bromo-3-methyl-5-nitro-pyridine

이름 더 보기

2-Hydorxy-5-Nitro-3-Picoline6-Bromo-5-methyl-3-nitropyridine2-Bromo-3-methyl-5-nitropyridine >2-Bromo-3-methyl-5-nitropyridine ISO 9001：2015 REACH2-HYDROXY-5-NITRO-3-PICOLINE (2-HYDROXY-3-METHYL-5-NITROPYRIDINE)

SCHEMBL1028847CS-D0964SBB013972STK688508AKOS005257074PS-4855AC-15194SY004384

데이터베이스 식별자

CAS: 23132-21-0
PubChem CID: 5200466
DTXSID: DTXSID10409464
EC Number: 677-832-1
Nikkaji: J2.645.234A

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: 57 · 57-58°C
끓는 점: 305.1 · 305.1±37.0 °C(Predicted)
밀도: 1.709 · 1.709±0.06 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
용해도: 메탄올에 용해됨
산도 계수 (pKa): -2.95 · -2.95±0.20(Predicted)
BRN: 1565441 · 1565441
InChI: InChI=1S/C6H5BrN2O2/c1-4-2-5(9(10)11)3-8-6(4)7/h2-3H,1H3
InChIKey: FZIQHPKXSLHGBZ-UHFFFAOYSA-N
SMILES: C1(Br)=NC=C([N+]([O-])=O)C=C1C

화학적 성질

off-white solid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (83.3%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.