3-Nitro-2-pyridinesulfenyl

HCID 129283

노트 반응

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기본 정보

CAS: 68206-45-1
표준 SMILES: O=[N+]([O-])c1cccnc1SCl
InChIKey: WTKQMHWYSBWUBE-UHFFFAOYSA-N
분자식: C5H3ClN2O2S
평균 분자량: 190.61 g/mol
단동위원소 질량: 189.9603762

이름 및 식별자

우선 이름: 3-Nitro-2-pyridinesulfenyl
IUPAC: (3-nitro-2-pyridinyl) thiohypochlorite
영어명: 3-Nitro-2-pyridinesulfenyl chloride
분자식: C5H3ClN2O2S
분자량: 190.61

이름 및 동의어

3-Nitro-2-pyridinesulfenyl chloride68206-45-1Npys3-Nitro-2-pyridinesulfenylNpys-ClDTXSID70218377RefChem:504419DTXCID90140868625-611-53-nitro-2-pyridinesulfenylchloride(3-nitropyridin-2-yl) thiohypochloritePyridine, 2-chlorothio-3-nitro-

이름 더 보기

OxytocinImpurity163-Nitropyridin-2-yl hypochlorothioite2-Pyridinesulfenyl chloride, 3-nitro-(3-nitropyridin-2-yl)sulfanyl]chlorane3-Nitro-2-pyridinesulfenyl chloride 95%

2-(chlorosulfanyl)-3-nitropyridineMFCD00274609[(3-NITROPYRIDIN-2-YL)SULFANYL]CHLORANESCHEMBL795882chloro(3-nitro(2-pyridyl))thionitro-2-pyridinesulfenyl chlorideAKOS0158983843-Nitro-2-pyridinesulfenyl chloride #

데이터베이스 식별자

CAS: 68206-45-1
PubChem CID: 129283
DTXSID: DTXSID70218377
EC Number: 625-611-5
Nikkaji: J1.246.535A

물성

구조 계산 물성

XLogP: 1.9
극성 표면적: 84 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 0
무거운 원자 수: 11
형식 전하: 0
복잡도: 152

물리화학적 성질

녹는점: 205 °C · 205 °C (dec.) (lit.)
끓는 점: 376.8 · 376.8±27.0 °C(Predicted)
밀도: 1.58 · 1.58±0.1 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
용해도: 디클로로메탄: 에 용해(lit.)
산도 계수 (pKa): -3.72 · -3.72±0.29(Predicted)
InChI: 1S/C5H3ClN2O2S/c6-11-5-4(8(9)10)2-1-3-7-5/h1-3H
InChIKey: WTKQMHWYSBWUBE-UHFFFAOYSA-N
SMILES: [O-][N+](=O)c1cccnc1SCl

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 1 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 CategoriesSkin Corr. 1B (100%)；Eye Dam. 1 (100%)

안전 데이터

wgk: 3
ridadr: UN 3261 8/PG 2
risk_code: 34
hazard_code: C
safety_code: 26-27-36/37/39-45
Hazard Classifications: Eye Dam. 1Skin Corr. 1B
스토리지 클래스: 8A - Combustible corrosive hazardous materials

화학 및 산업

응용 분야

용도3-Nitro-2-pyridinesulfenyl chloride (NpysCl) was employed as the starting material for the synthesis of N-, O- and S-Npys-protected amino acid.

일반 설명The 3-nitro-2-pyridinesulphenyl (Npys) moiety is useful as a protecting-activating group for cysteine, particularly in the synthesis of cyclic and unsymmetrical disulfides. The stability of NpysCl was studied in various solvents.