2-ニトロ-4-メチルベンズアルデヒド

4-Methyl-2-nitrobenzaldehyde

HCID 590446

基本情報

CAS
20357-22-6
標準SMILES
Cc1ccc(C=O)c([N+](=O)[O-])c1
InChIKey
FDYADQPZUDULNK-UHFFFAOYSA-N
分子式
C8H7NO3
平均分子量
165.15 g/mol
単同位体質量
165.04259309

名称と識別子

優先名称
4-Methyl-2-nitrobenzaldehyde
IUPAC
4-methyl-2-nitrobenzaldehyde
現地名
2-ニトロ-4-メチルベンズアルデヒド
英語名
4-Methyl-2-nitrobenzaldehyde
分子式
C8H7NO3
分子量
165.15

名称と別名

4-Methyl-2-nitrobenzaldehyde20357-22-6Benzaldehyde, 4-methyl-2-nitro-p-Tolualdehyde, 2-nitro-DTXSID60343546RefChem:99733DTXCID60294625FDYADQPZUDULNK-UHFFFAOYSA-NMFCD086698952-nitro-4-methylbenzaldehydeSCHEMBL3017185CL9242
名称をさらに表示
2-ニトロ-4-メチルベンズアルデヒド4-メチル-2-ニトロベンズアルデヒド4-Methyl-2-nitrobenzaldehyde 98%
AKOS005215975CS-W022211AB46097AS-10040SY114598AMY14425FT-0687009SCHEMBL27923683

データベース識別子

CAS
20357-22-6
PubChem CID
590446
DTXSID
DTXSID60343546
EC Number
160-837-3
Nikkaji
J101.562A

物性

構造計算による物性

XLogP
1.6
極性表面積
62.9 Ų
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
12

物理化学的性質

沸点
309.4 · 309.4±30.0 °C(Predicted)
比重(密度)
1.278 · 1.278±0.06 g/cm3(Predicted)
貯蔵温度
2 · under inert gas (nitrogen or Argon) at 2-8°C
InChI
InChI=1S/C8H7NO3/c1-6-2-3-7(5-10)8(4-6)9(11)12/h2-5H,1H3
InChIKey
FDYADQPZUDULNK-UHFFFAOYSA-N
SMILES
C(=O)C1=CC=C(C)C=C1[N+]([O-])=O

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal];H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation];H335 (100%): 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 2 reports by companies from 1 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 (100%);Acute Tox. 4 (100%);Skin Irrit. 2 (100%);Eye Irrit. 2A (100%);Acute Tox. 4 (100%);STOT SE 3 (100%)

安全データ

hs_code
2913000090

化学と産業

サプライヤー54 社

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
毕佳索(上海毕得医药科技股份有限公司)400-6005915 · [email protected]
Changzhou Anxuan Chemical Co., Ltd+86-0519-89882563 +86-18961279162 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]

関連反応

10 件

化合物ノート

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