CAS 6684-39-5 2-Chloro-5-pyridinesulfonyl chloride (HCID 2792792)

基本情報

CAS: 6684-39-5
標準SMILES: O=S(=O)(Cl)c1ccc(Cl)nc1
InChIKey: QXZKKHONVQGXAK-UHFFFAOYSA-N
分子式: C5H3Cl2NO2S
平均分子量: 212.05 g/mol
単同位体質量: 210.9261549

名称と識別子

優先名称: 2-Chloro-5-pyridinesulfonyl chloride
IUPAC: 6-chloropyridine-3-sulfonyl chloride
現地名: 2-クロロ-5-ピリジンスルホニルクロリド
英語名: 2-Chloropyridine-5-sulfonyl chloride
分子式: C5H3Cl2NO2S
分子量: 212.05

名称と別名

2-Chloro-5-pyridinesulfonyl chlorideRefChem:469450804-146-36684-39-52-Chloropyridine-5-sulfonyl chloride6-chloropyridine-3-sulfonyl Chloride6-chloro-3-pyridinesulfonyl chlorideMFCD035410492-Chloropyridine-5-sulfonylchloride6-Chloro-pyridine-3-sulfonyl chloridechloro(6-chloro(3-pyridyl))sulfone3-PYRIDINESULFONYL CHLORIDE, 6-CHLORO-

名称をさらに表示

2-クロロ-5-ピリジンスルホニルクロリド2-クロロピリジン-5-スルホニルクロリド6-クロロ-3-ピリジンスルホニルクロリドAURORA 16313AKOS BBS-00006680OTAVA-BB BB71109513712-Chloropyridine-5-sulfonyl2-Chloropyridine-5-sulphonylchloride2-chloro-5-pyridinesulphonyl chloride3-Pyridinesulfonylchloride, 6-chloro-

SCHEMBL17509SCHEMBL29483829DTXSID903831372-Chloro-5-chlorosulfonylpyridineQXZKKHONVQGXAK-UHFFFAOYSA-N6-chloropyridin-3-sulfonylchloride2-Chloro-5-pyridinesulfonylchloride6-chloro-3-pyridylsulfonyl chloride

データベース識別子

CAS: 6684-39-5
PubChem CID: 2792792
DTXSID: DTXSID90383137
EC Number: 804-146-3

物性

構造計算による物性

XLogP: 1.8
極性表面積: 55.4 Å²
水素結合供与体数: 0
水素結合受容体数: 3
回転可能結合数: 1
重原子数: 11
形式電荷: 0
複雑度: 223

物理化学的性質

融点: 51 °C · 51 °C
沸点: 132 °C · 132 °C(Press: 8 Torr)
比重(密度): 1.615 · 1.615±0.06 g/cm3(Predicted)
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2-8°C
外見: solid
酸解離定数(Pka): -5.29 · -5.29±0.10(Predicted)
InChI: InChI=1S/C5H3Cl2NO2S/c6-5-2-1-4(3-8-5)11(7,9)10/h1-3H
InChIKey: QXZKKHONVQGXAK-UHFFFAOYSA-N
SMILES: C1=NC(Cl)=CC=C1S(Cl)(=O)=O
CAS データベース: 6684 · 6684-39-5(CAS DataBase Reference)

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H302+H312+H332 (95%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]；H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (95%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H314 (95%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H332 (95%): Harmful if inhaled [Warning Acute toxicity, inhalation]

P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 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.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (97.5%)；Acute Tox. 4 (95%)；Skin Corr. 1B (95%)；Acute Tox. 4 (95%)

安全データ

wgk: WGK 3
ridadr: UN3261
hs_code: 2933399990
risk_code: 36
hazard_code: Xi
safety_code: 26
hazard_class: 8
Hazard Classifications: Eye Irrit. 2
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野

使用6-Chloro-3-pyridinesulfonyl Chloride, is a heterocylic building block used for chemical synthesis. It is also an intermediate in the synthesis of 6-Aminopyridine-3-sulfonamide (A628835), that can be used as anticoccidial agents.