2-アミノ-5-メチルベンズアミド

2-Amino-5-methylbenzamide

HCID 10329436

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 40545-33-3
標準SMILES: Cc1ccc(N)c(C(N)=O)c1
InChIKey: LLSGVPKOCZZLTF-UHFFFAOYSA-N
分子式: C8H10N2O
平均分子量: 150.18 g/mol
単同位体質量: 150.07931295

名称と識別子

優先名称: 2-Amino-5-methylbenzamide
IUPAC: 2-amino-5-methylbenzamide
現地名: 2-アミノ-5-メチルベンズアミド
英語名: 2-Amino-5-methylbenzamide
分子式: C8H10N2O
分子量: 150.18

名称と別名

2-Amino-5-methylbenzamide40545-33-3DTXSID50438112RefChem:255736DTXCID80388934801-589-4MFCD03428521Benzamide, 2-amino-5-methyl-2-amino-5-methyl-benzamide5-methylanthranilamideCS-W0215692-Amino-5-methylbenzamide, AldrichCPR

名称をさらに表示

2-アミノ-5-メチルベンズアミドBenzamide, 2-amino-5-methyl- (9CI)2-AMINO-5-METHYLBENZAMIDE ISO 9001：2015 REACH

SB76188AC-16294DS-13963SY107415EN300-253963Z992346212FT-0639649SCHEMBL688411

データベース識別子

CAS: 40545-33-3
PubChem CID: 10329436
DTXSID: DTXSID50438112
EC Number: 801-589-4

物性

構造計算による物性

XLogP: 1.1
極性表面積: 69.1 Å²
水素結合供与体数: 2
水素結合受容体数: 2
回転可能結合数: 1
重原子数: 11
形式電荷: 0
複雑度: 158

物理化学的性質

融点: 178 · 178-180°C
沸点: 265.7 · 265.7±28.0 °C(Predicted)
比重(密度): 1.185 · 1.185±0.06 g/cm3(Predicted)
貯蔵温度: Keep in dark place,Inert atmosphere,Room temperature
酸解離定数(Pka): 15.88 · 15.88±0.50(Predicted)
外見: solid
InChI: 1S/C8H10N2O/c1-5-2-3-7(9)6(4-5)8(10)11/h2-4H,9H2,1H3,(H2,10,11)
InChIKey: LLSGVPKOCZZLTF-UHFFFAOYSA-N
SMILES: Cc1ccc(N)c(c1)C(N)=O
CAS データベース: 40545 · 40545-33-3(CAS DataBase Reference)

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (33.3%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (66.7%): 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, 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 3 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 (66.7%)；Skin Irrit. 2 (66.7%)；Eye Irrit. 2 (100%)；Acute Tox. 4 (33.3%)；STOT SE 3 (66.7%)

安全データ

wgk: WGK 3
risk_code: 36/37/38-36
safety_code: 26-36/37/39
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2
ストレージクラス: 11 - Combustible Solids

化学と産業

上流・下流製品情報

上流原料

サプライヤー49 社

陕西缔都新材料有限公司81124267 17392282731 · [email protected]

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

Changzhou Anxuan Chemical Co., Ltd+86-0519-89882563 +86-18961279162 · [email protected]

化合物ノート

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