6-Bromo-2-methyl-3-nitropyridine

HCID 24728014CAS 22282-96-8

기본 정보

표준 SMILES: Cc1nc(Br)ccc1[N+](=O)[O-]
InChIKey: PCNVKBBKROTUNS-UHFFFAOYSA-N
분자식: C6H5BrN2O2
평균 분자량: 217.02 g/mol
단동위원소 질량: 215.95344

이름 및 식별자

우선 이름: 6-Bromo-2-methyl-3-nitropyridine
IUPAC: 6-bromo-2-methyl-3-nitropyridine
영어명: 2-BROMO-5-NITRO-6-PICOLINE
분자식: C6H5BrN2O2
분자량: 217.02

이름 및 동의어

22282-96-86-bromo-2-methyl-3-nitropyridine2-Bromo-6-methyl-5-nitropyridineDTXSID00646104RefChem:540770DTXCID80596855694-528-42-Bromo-5-nitro-6-picolineMFCD030952192-bromo-5-nitro-6-methylpyridineCS-D0966AKOS005255975

이름 더 보기

6-Bromo-3-nitropicoline6-Bromo-2-methyl-3-nitro-p2-BROMO-5-NITRO-6-PICOLIN...6-Brom-2-methyl-3-nitro-pyridi6-Brom-2-methyl-3-nitro-pyridin

6-Bromo-2-methyl-3-nitropyridine, 97%SY017254EN300-1577516-bromo-2-methyl-3-nitro-pyridine6-bromo-3-nitro-2-picolineFT-0648082SCHEMBL1128565PCNVKBBKROTUNS-UHFFFAOYSA-N

데이터베이스 식별자

CAS: 22282-96-8
PubChem CID: 24728014
DTXSID: DTXSID00646104
EC Number: 694-528-4

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: 69 · 69-70°C
끓는 점: 274 · 274.0±35.0 °C(Predicted)
밀도: 1.709 · 1.709±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
용해도: 클로로포름에 용해됨
산도 계수 (pKa): -2.52 · -2.52±0.10(Predicted)
물리적 상태: 고체
색상: 노란색
InChI: 1S/C6H5BrN2O2/c1-4-5(9(10)11)2-3-6(7)8-4/h2-3H,1H3
InChIKey: PCNVKBBKROTUNS-UHFFFAOYSA-N
SMILES: Cc1nc(Br)ccc1[N+]([O-])=O

화학적 성질

Yellow Solid

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (97.7%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 43 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.