2-Chloro-4-nitropyridine 1-oxide

HCID 84433CAS 14432-16-7
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
O=[N+]([O-])c1cc[n+]([O-])c(Cl)c1
InChIKey
YSTCMHHKDOVZDA-UHFFFAOYSA-N
분자식
C5H3ClN2O3
평균 분자량
174.54 g/mol
단동위원소 질량
173.9832197

이름 및 식별자

우선 이름
2-Chloro-4-nitropyridine 1-oxide
IUPAC
2-chloro-4-nitro-1-oxidopyridin-1-ium
영어명
2-Chloro-4-nitropyridine 1-oxide
분자식
C5H3ClN2O3
분자량
174.54

이름 및 동의어

2-Chloro-4-nitropyridine 1-oxideDTXSID80162675EINECS 238-404-6RefChem:469088DTXCID5085166NSC 527701238-404-614432-16-72-Chloro-4-nitropyridine-N-oxide2-Chloro-4-nitropyridine N-oxide2-chloro-4-nitro-1-oxidopyridin-1-iumPyridine, 2-chloro-4-nitro-, 1-oxide
이름 더 보기
AURORA 23245AKOS BBS-00001358OTAVA-BB BB70175200532-Chloro-4-nitropyridi2-Chlor-4-nitropyridin-1-oxid4-Chloro-3-nitropyridine-N-oxide2-Chloro-4-nitropyridineN-Oxide>2-Chloro-4-nitropyridine N-oxide 95%
MFCD009556172-CHLORO-4-NITROPYRIDIN-1-IUM-1-OLATENSC-5277012-chloro-4-nitropyridin-1-ol2-Chloro-4-nitropyridine1-oxideJE5ASN4WNESCHEMBL345760SCHEMBL31536932

데이터베이스 식별자

CAS
14432-16-7
PubChem CID
84433
DTXSID
DTXSID80162675
UNII
JE5ASN4WNE
EC Number
238-404-6
Nikkaji
J217.012D

물성

구조 계산 물성

XLogP
0.6
극성 표면적
71.3 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
3
회전 가능 결합 수
0
무거운 원자 수
11

물리화학적 성질

녹는점
151 · 151-155 °C (lit.)
끓는 점
405.9 · 405.9±25.0 °C(Predicted)
밀도
1.62 · 1.62±0.1 g/cm3(Predicted)
인화점
223 °F · 223 °F
저장 조건
2 · 2-8°C, sealed storage, away from moisture
산도 계수 (pKa)
-2.53 · -2.53±0.10(Predicted)

화학적 성질

light yellow solid

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H301 (91.1%): Toxic if swallowed [Danger Acute toxicity, oral]；H311 (91.1%): Toxic in contact with skin [Danger Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H331 (91.1%): Toxic if inhaled [Danger Acute toxicity, inhalation]；H335 (97.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 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.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 3 (91.1%)；Acute Tox. 3 (91.1%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；Acute Tox. 3 (91.1%)；STOT SE 3 (97.8%)

안전 데이터

wgk
3
ridadr
UN 2811 6.1/PG 3
HS 번호
29333990
risk_code
23/24/25-36/37/38
hazard_code
T
safety_code
26-36-45-36/37/39-28

화학 및 산업

응용 분야

용도2-Chloro-4-nitropyridine 1-oxide serves as a reagent for nucleophilic substitution with amines in ethanol under microwave irradiation at 100 °C to form pyridine N-oxides[1].

상·하류 제품 정보

공급사50 곳

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]

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