3,6-Dichloropyridazine (HCID 67331)

名称と識別子

優先名称: 3,6-Dichloropyridazine
IUPAC: 3,6-dichloropyridazine
現地名: 3,6-ジクロロピリダジン
英語名: 3,6-Dichloropyridazine
分子式: C4H2Cl2N2
分子量: 148.98

名称と別名

3,6-DichloropyridazinePyridazine, 3,6-dichloro-EINECS 205-478-6NSC 54498DTXSID4059704RefChem:91740Pyridazine, 3,6dichloroDTXCID0034568205-478-6GUSWJGOYDXFJSI-UHFFFAOYSA-NInChI=1/C4H2Cl2N2/c5-3-1-2-4(6)8-7-3/h1-2141-30-0

名称をさらに表示

3,6-ジクロロピリダジントリエチルヘキサノイン3,6‐ジクロロピリダジン3,6-dichlorpyridazine3,6-DichLAURORA KA-6560IFLAB-BB F1918-00766-Dichloropyridazine3,6-Dichloropyridazi3,6-Dichloro Pyridine3,6-dichloro-pyridazinLABOTEST-BB LT01148255

3,6-Dichloro-pyridazineMFCD00006466NSC-54498Resmetirom Impurity 13,6-dichloropyridazin3,6-dichloro pyridazineNSC544983,6 dichloropyridazine

データベース識別子

CAS: 141-30-0
PubChem CID: 67331
DTXSID: DTXSID4059704
UNII: TJY3UR6EDV
EC Number: 205-478-6
Nikkaji: J52.353D

物性

構造計算による物性

XLogP: 1.7
極性表面積: 25.8 Å²
水素結合供与体数: 0
水素結合受容体数: 2
回転可能結合数: 0
重原子数: 8
形式電荷: 0
複雑度: 68.4

実験および物理化学的性質

Chemical ClassesNitrogen Compounds -> Other Aromatics (Nitrogen)

SpringerMaterials PropertiesSchoenflies notation

LogP0.93

Physical DescriptionSolid; [Sigma-Aldrich MSDS]

物理化学的性質

融点: 65 · 65-69 °C (lit.)
沸点: 244.21 °C · 244.21°C (rough estimate)
比重(密度): 1.6445 · 1.6445 (rough estimate)
屈折率: 1.63 · 1.6300 (estimate)
貯蔵温度: Keep in dark place,Sealed in dry,Room Temperature
溶解性: 0.0012 g/l · 0.0012g/l
酸解離定数(Pka): -1.18 · -1.18±0.10(Predicted)
外見: 結晶性粉末
色: 白～ほぼ白
水溶解度: クロロホルムに可溶。水に不溶。
BRN: 111151 · 111151
InChI: InChI=1S/C4H2Cl2N2/c5-3-1-2-4(6)8-7-3/h1-2H
InChIKey: GUSWJGOYDXFJSI-UHFFFAOYSA-N
SMILES: C1(Cl)=NN=C(Cl)C=C1
CAS データベース: 141 · 141-30-0(CAS DataBase Reference)
NISTの化学物質情報: 3 · Pyridazine, 3,6-dichloro-(141-30-0)
EPAの化学物質情報: 3 · Pyridazine, 3,6-dichloro- (141-30-0)

化学的性質

化学的特性off-white to brownish crystalline powder

安全と法規制

GHS分類

GHS Classification · 6 件

Danger

H301 (81%): Toxic if swallowed [Danger Acute toxicity, oral]

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

Aggregated GHS information provided per 58 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

H373: May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]

危険有害性情報

Regulatory InformationStatus: Active Update: 05-11-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/32994

Hazards Summary · 1 件

Causes somnolence, ataxia, and weight loss in inhalation lethal-concentration studies of rats; Causes somnolence and muscle weakness in oral lethal-dose studies of rats; [RTECS] A skin and strong eye irritant; Toxic by ingestion; [Sigma-Aldrich MSDS] See Maleic hydrazide and Pyrazon.

Hazard Classes and Categories · 2 件

Acute Tox. 3 (81%)

Specific target organ toxicity - Repeated exposure - Category 2 (liver, kidney, testis)

毒性情報

Toxicity DataLC50 (rat) > 1,070 mg/m3/4hr

安全データ

wgk: 3
tsca: TSCA listed
rtecs: UR5886250
ridadr: 2811
毒性: rat,LC50,inhalation,> 1070mg/m3/4H (1070mg/m3),BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)BEHAVIORAL: ATAXIA,National Technical Information Service. Vol. OTS0543107,
hs_code: 29339900
risk_code: 36/37/38-25-20
化審法: (5)-3834
hazard_code: Xi,T
hazard_note: Irritant
safety_code: 26-37/39-45-22-36/39-36
hazard_class: 6.1
packing_group: III
Hazard Classifications: Acute Tox. 4 Oral
ストレージクラス: 11 - Combustible Solids

化学と産業

用途と製造

General Manufacturing InformationPyridazine, 3,6-dichloro-: ACTIVE

応用分野 · 3 件

用途有機合成原料。

用途医薬中間体、防腐?防カビ剤、漁網用防汚剤

使用3,6-Dichloropyridazine is used as an intermediate in synthetic chemistry, especially in active pharmaceutical ingredients. It is used in the preparation of alfa-(halohetaroyl)-2-azahetarylacetonitriles.

上流・下流製品情報

上流原料

抱水ヒドラジン無水マレイン酸ヒドラジン一水和物マレイン酸ヒドラジド (Z)-2-ブテン二酸ジヒドラジド [1(6H),3'-Bipyridazin]-6-one,3,6'-dichloro-3-(トリフルオロメチル)ベンゼンスルフィン酸ナトリウム塩 Pyridazine, 3,6-dichloro-, 2-oxide 3,6-Pyridazinedione 6-クロロピリダジン-3(2H)-オン

下流製品

3-Chloro-6-[(4,6-dimethylpyrimidin-2-yl)thio]pyridazine 3-アミノピリダジン 3-アミノピリダジン塩酸塩 Pyridazine-3,4-diamine 3-アミノ-6-クロロピリダジン 6-クロロ-1,2,4-トリアゾロ[4,3-b]ピリダジン 3-アミノ-6-フェニルピリダジンスルファクロルピリダジン 6-メトキシピリダジン-3-アミン N-Benzyl-6-chloro-N-methylpyridazin-3-amine 3,6-Dichloro-4-iodopyridazine 6-クロロ-3(2H)-ピリダジンチオン

サプライヤー50 社

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]

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

INTATRADE GmbH+49 3493/605464 · [email protected]

爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

3,6-ジクロロピリダジン

基本情報