CAS 1121-79-5 3-Chloro-6-methylpyridazine (HCID 227254)

名称と識別子

優先名称: 3-Chloro-6-methylpyridazine
IUPAC: 3-chloro-6-methylpyridazine
現地名: 3-メチル-6-クロロピリダジン
英語名: 3-Chloro-6-methylpyridazine
分子式: C5H5ClN2
分子量: 128.56

名称と別名

3-Chloro-6-methylpyridazineDTXSID10280795RefChem:93483DTXCID10231949627-952-5PRORLQAJNJMGAR-UHFFFAOYSA-N1121-79-53-Chloro-6-methyl-pyridazinePYRIDAZINE, 3-CHLORO-6-METHYL-MFCD000529056-chloro-3-methylpyridazineNSC-18704

名称をさらに表示

3-メチル-6-クロロピリダジン3-クロロ-6-メチルピリダジンNSC 18704AKOS BBS-000015513-Chloro-6-Methylpridazine3-Chloro-6-methylpyridazi...

3-Chloro-6-methyl pyridazine6-Chloro-3-methylpyridazine; NSC 18704;3-Chloro-6-methyl-1,2-diazineNSC187043-chloro-6-methylchloro-6-methylpyridazineSCHEMBL52266-methyl-3-chloropyridazine

データベース識別子

CAS: 1121-79-5
PubChem CID: 227254
DTXSID: DTXSID10280795
ChEBI: CHEBI:194649
UNII: 69FY6863P4
EC Number: 627-952-5
Nikkaji: J151.404K

物性

構造計算による物性

XLogP: 1.2
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: 76

物理化学的性質

融点: 58 · 58-62 °C
沸点: 58 °C · 58 °C
比重(密度): 1.234 · 1.234±0.06 g/cm3(Predicted)
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2-8°C
溶解性: DMSO、メタノール（微量）
外見: 個体
酸解離定数(Pka): 1.26 · 1.26±0.10(Predicted)
色: ペールベージュ
BRN: 108655 · 108655
InChI: InChI=1S/C5H5ClN2/c1-4-2-3-5(6)8-7-4/h2-3H,1H3
InChIKey: PRORLQAJNJMGAR-UHFFFAOYSA-N
SMILES: C1(Cl)=NN=C(C)C=C1
CAS データベース: 1121 · 1121-79-5(CAS DataBase Reference)

化学的性質

化学的特性colorless to yellow liquid

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H302 (89.4%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (87.2%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H318 (87.2%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (12.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (10.6%): 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 47 reports by companies from 4 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 (89.4%)；Skin Irrit. 2 (100%)；Skin Sens. 1 (87.2%)；Eye Dam. 1 (87.2%)；Eye Irrit. 2 (12.8%)；STOT SE 3 (10.6%)

安全データ

wgk: 3
hs_code: 29339900
risk_code: 20/21/22-36/37/38-43-41-38-22
hazard_code: Xn
hazard_note: Harmful
safety_code: 26-37/39-36/37-37
hazard_class: IRRITANT
Hazard Classifications: Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2Skin Sens. 1
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野

使用3-Chloro-6-methylpyridazine is used for preparation of heterocyclic compounds as integrase inhibiting antiviral agents.

上流・下流製品情報

下流製品

6-クロロピリダジン-3-カルボン酸テゴブビル Pyridazine, 3-methyl-6-(1-piperazinyl)- (9CI)2,6-DIMETHYLIMIDAZO[1,2-B]PYRIDAZINE N,6-dimethylpyridazin-3-amine 3-MERCAPTO-6-METHYLPYRIDAZINE

サプライヤー100 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]

化合物ノート

読み込み中…

3-メチル-6-クロロピリダジン

基本情報