4-クロロ-2-メチルピリミジン

4-Chloro-2-methylpyrimidine

HCID 424447
ノート反応
部分構造検索類似構造を探す

基本情報

CAS
4994-86-9
標準SMILES
Cc1nccc(Cl)n1
InChIKey
WDTVJRYCMIZPMX-UHFFFAOYSA-N
分子式
C5H5ClN2
平均分子量
128.56 g/mol
単同位体質量
128.0141259

名称と識別子

優先名称
4-Chloro-2-methylpyrimidine
IUPAC
4-chloro-2-methylpyrimidine
現地名
4-クロロ-2-メチルピリミジン
英語名
4-Chloro-2-methylpyrimidine
分子式
C5H5ClN2
分子量
128.56

名称と別名

4-Chloro-2-methylpyrimidine4994-86-9Pyrimidine, 4-chloro-2-methyl-DTXSID40329848RefChem:98388DTXCID20280943800-409-1WDTVJRYCMIZPMX-UHFFFAOYSA-N4-Chloro-2-methyl-pyrimidineMFCD002340692-methyl-4-chloropyrimidineAKOS000557983
名称をさらに表示
4-クロロ-2-メチルピリミジンCHEMBRDG-BB 40154624-Chloro-2-methylpyrimidine95%4-Chloro-2-methylpyrimidine >2-methyl-4-chloro-[3,4-d]-pyrimidine4-chloro-2-methylpyrimidine(SALTDATA: FREE)Pyrimidine, 4-chloro-2-methyl- (7CI,8CI,9CI)
GS-58224-Chloro-2-methylpyrimidine, AldrichCPRAC-25270C2835EN300-65257BCP30392Dasatinib Impurity RDIMETHYLBENZYLCARBINYLPROPIONATE

データベース識別子

CAS
4994-86-9
PubChem CID
424447
DTXSID
DTXSID40329848
EC Number
800-409-1
Nikkaji
J526.186D

物性

構造計算による物性

XLogP
1.6
極性表面積
25.8 Ų
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

物理化学的性質

融点
55 to · 55.0 to 59.0 °C
沸点
168 °C · 168°C(lit.)
比重(密度)
1.234 · 1.234±0.06 g/cm3(Predicted)
貯蔵温度
-20 °C · Inert atmosphere,Store in freezer, under -20°C
外見
powder to crystal
酸解離定数(Pka)
0.47 · 0.47±0.20(Predicted)

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (83.3%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (50%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (33.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, 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 6 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.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (66.7%)；Skin Irrit. 2 (83.3%)；Eye Dam. 1 (50%)；Eye Irrit. 2 (33.3%)；STOT SE 3 (50%)

安全データ

hs_code
2933599590
Hazard Classifications
Acute Tox. 4 Oral
ストレージクラス
11 - Combustible Solids

化学と産業

応用分野

使用4-Chloro-2-methylpyrimidine is a reagent in the preparation of (pyridylmethyl)-/(pyrimidin-4-ylmethyl)-dihydroquinolines as antagonists against CXCR4.

上流・下流製品情報

サプライヤー100 社

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
苏州启航生物科技有限公司18151111370 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]

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