4-ニトロフタルアミド

1,2-Benzenedicarboxamide, 4-nitro-

HCID 83167CAS 13138-53-9

部分構造検索類似構造を探す

基本情報

標準SMILES: NC(=O)c1ccc([N+](=O)[O-])cc1C(N)=O
InChIKey: XWCDSCYRIROFIO-UHFFFAOYSA-N
分子式: C8H7N3O4
平均分子量: 209.16 g/mol
単同位体質量: 209.04365571

名称と識別子

優先名称: 1,2-Benzenedicarboxamide, 4-nitro-
IUPAC: 4-nitrobenzene-1,2-dicarboxamide
現地名: 4-ニトロフタルアミド
英語名: 4-Nitrophthaldiamide
分子式: C8H7N3O4
分子量: 209.16

名称と別名

4-Nitrophthaldiamide1,2-Benzenedicarboxamide, 4-nitro-EINECS 236-070-6NSC 94821DTXSID9065360RefChem:411093DTXCID2034041236-070-64-Nitrophthalamide13138-53-94-nitrobenzene-1,2-dicarboxamideC8H7N3O4

名称をさらに表示

4-ニトロフタルアミド4-ニトロフタルアミド, 99%4-ニトロベンゼン-1,2-ジカルボキサミド4-NitrophthaldiamidNitrophthalamide,98%4-nitro phthalic aMide4-NITROPHTHALAMIDE 99%4-NITROPHTHALIC ACID DIAMIDE4-nitro-2-benzenedicarboxamide1,2-BENZENEDICARBOXAMIDE,4-NITRO-

MFCD00052702NSC94821Maybridge1_0032714-Nitrophthalamide, 99%NCIOpen2_006090SCHEMBL6398309HMS550M15XWCDSCYRIROFIO-UHFFFAOYSA-

データベース識別子

CAS: 13138-53-9
PubChem CID: 83167
DTXSID: DTXSID9065360
EC Number: 236-070-6
Nikkaji: J317.826I

物性

構造計算による物性

XLogP: -0.4
極性表面積: 132 Å²
水素結合供与体数: 2
水素結合受容体数: 4
回転可能結合数: 2
重原子数: 15
形式電荷: 0
複雑度: 299

物理化学的性質

融点: 195 °C · 195 °C (dec.) (lit.)
貯蔵温度: room temp
外見: powder or crystals
CAS データベース: 13138 · 13138-53-9(CAS DataBase Reference)
EPAの化学物質情報: 1 · 1,2-Benzenedicarboxamide, 4-nitro- (13138-53-9)

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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

Aggregated GHS information provided per 40 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 CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.5%)

安全データ

wgk: 1
tsca: TSCA listed
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-37/39

化学と産業

用途と製造

General Manufacturing Information1,2-Benzenedicarboxamide, 4-nitro-: INACTIVE

応用分野

使用4-Nitrophthalamide is a stain/dye. Dyes and metabolites.

上流・下流製品情報

上流原料

4-ニトロフタルイミド

下流製品

4-ニトロフタロニトリル 4-ヒドロキシフタロニトリル

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