2-Bromo-4-nitropyridine N-oxide

HCID 3904026

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 52092-43-0
표준 SMILES: O=[N+]([O-])c1cc[n+]([O-])c(Br)c1
InChIKey: IRBDHXCXCSFNEQ-UHFFFAOYSA-N
분자식: C5H3BrN2O3
평균 분자량: 218.99 g/mol
단동위원소 질량: 217.9327

이름 및 식별자

우선 이름: 2-Bromo-4-nitropyridine N-oxide
IUPAC: 2-bromo-4-nitro-1-oxidopyridin-1-ium
영어명: 2-Bromo-4-nitropyridine 1-oxide
분자식: C5H3BrN2O3
분자량: 218.99

이름 및 동의어

2-Bromo-4-nitropyridine N-oxideRefChem:466611661-534-352092-43-02-bromo-4-nitropyridine 1-oxide2-bromo-4-nitro-1-oxidopyridin-1-iumMFCD00160743SCHEMBL14243232-Bromo-4-nitropyridine-n-oxideAKOS005259387SY014602B3145

이름 더 보기

Nsc1741302-BROMO-4-NITROPYRIDINE1N-OXIDE2-broMo-4-nitropyridine-1-O×ide2-Bromo-4-nitropyridine N-Oxide >2-bromo-4-nitro-1-oxidopyridin-1-ium2-broMo-4-nitro-1$l^{5}-pyridin-1-one2-Bromo-4-nitropyridine nitrogen oxide

2-Bromo-4-nitro-1-oxo-1lambda~5~-pyridine2-bromo-4-nitropyridin-1-ol2-BROMO-4-NITROPYRIDIN-1-IUM-1-OLATEPYRIDINE, 2-BROMO-4-NITRO-, 1-OXIDE2-Bromo-4-nitropyridine1-oxideMFCD001600743FT-0655220A828919

데이터베이스 식별자

CAS: 52092-43-0
PubChem CID: 3904026
DTXSID: DTXSID00397866
EC Number: 661-534-3
Nikkaji: J1.352.731H

물성

구조 계산 물성

XLogP: 0.7
극성 표면적: 71.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 0
무거운 원자 수: 11
형식 전하: 0
복잡도: 160

물리화학적 성질

녹는점: 143 · 143-146°C
끓는 점: 430.2 · 430.2±25.0 °C(Predicted)
밀도: 1.98 · 1.98±0.1 g/cm3(Predicted)
산도 계수 (pKa): -2.53 · -2.53±0.10(Predicted)
물리적 상태: powder to crystal
색상: Light orange to Yellow to Green
BRN: 145698 · 145698
InChI: InChI=1S/C5H3BrN2O3/c6-5-3-4(8(10)11)1-2-7(5)9/h1-3H
InChIKey: IRBDHXCXCSFNEQ-UHFFFAOYSA-N
SMILES: C1(Br)[N+]([O-])=CC=C([N+]([O-])=O)C=1

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H302 (97.7%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (88.4%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H318 (88.4%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (11.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+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 3 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.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (97.7%)；Skin Irrit. 2 (100%)；Skin Sens. 1 (88.4%)；Eye Dam. 1 (88.4%)；Eye Irrit. 2 (11.6%)；STOT SE 3 (97.7%)

안전 데이터

ridadr: 2811
HS 번호: 29333990
risk_code: 23/24/25-36/37/38
safety_code: 22-26-36/37/39-36
포장분류: III
위험 등급: 6.1

화학 및 산업

상·하류 제품 정보

하류 제품

4-Amino-2-bromopyridine 6-Bromo-4-chloropicolinonitrile 2-Bromo-4-cyanopyridine

공급사97 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

湖北永阔科技有限公司027-59223108 15972152991 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]

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