2-アミノ-5-ニトロベンゾニトリル

2-Amino-5-nitrobenzonitrile

HCID 28532CAS 17420-30-3
部分構造検索類似構造を探す

基本情報

標準SMILES
N#Cc1cc([N+](=O)[O-])ccc1N
InChIKey
MGCGMYPNXAFGFA-UHFFFAOYSA-N
分子式
C7H5N3O2
平均分子量
163.13 g/mol
単同位体質量
163.0381764

名称と識別子

優先名称
2-Amino-5-nitrobenzonitrile
IUPAC
2-amino-5-nitrobenzonitrile
現地名
2-アミノ-5-ニトロベンゾニトリル
英語名
5-Nitroanthranilonitrile
分子式
C7H5N3O2
分子量
163.13

名称と別名

2-Amino-5-nitrobenzonitrile17420-30-35-Nitroanthranilonitrile2-Cyano-4-nitroanilineBenzonitrile, 2-amino-5-nitro-Anthranilonitrile, 5-nitro-2-Kyan-4-nitroanilin2-Kyan-4-nitroanilin [Czech]SEZ79WRA1JCCRIS 9092DTXSID0038839BRN 1425714
名称をさらに表示
2-アミノ-5-ニトロベンゾニトリル5-ニトロ-2-アミノベンゾニトリル5-ニトロアントラニロニトリル2-シアノ-4-ニトロアニリン2アミノ5ニトロベンゾニトリル2-アミノー5-ニトロベンゾニトリル2-アミノ-5-ニトロベンゾニトリル, 95%5-Nitroanthranilonit4-Nitro-2-cyananiline2-Cyan-4-nitroaniline2-CYNO-4 NITRO ANILINE2-cyano-4-nitro-anilin5-nitro-anthranilonitril
ANILINE, 2-CYANO-4-NITRO-EINECS 241-446-84-NITRO-2-CYANOANILINEDTXCID80188393-14-00-00980 (Beilstein Handbook Reference)AMINO-5-NITROBENZONITRILE, 2-2Kyan4nitroanilin2Cyano4nitroaniline

データベース識別子

CAS
17420-30-3
PubChem CID
28532
DTXSID
DTXSID0038839
ChEMBL
CHEMBL3560683
UNII
SEZ79WRA1J
EC Number
241-446-8
Nikkaji
J55.215A

物性

構造計算による物性

XLogP
1.8
極性表面積
95.6 Ų
水素結合供与体数
1
水素結合受容体数
4
回転可能結合数
0
重原子数
12

実験および物理化学的性質

Chemical ClassesNitrogen Compounds -> Nitroanilines
Physical DescriptionYellow powder; [Alfa Aesar MSDS]
Collision Cross Section125.1 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID0038839]

物理化学的性質

融点
200 · 200-207 °C(lit.)
沸点
290.19 °C · 290.19°C (rough estimate)
比重(密度)
1.4141 · 1.4141 (rough estimate)
屈折率
1.55 · 1.5500 (estimate)
闪点
234 °C · 234 °C
貯蔵温度
Keep in dark place,Inert atmosphere,Room temperature
化学的性質 · 1 件

化学的特性yellow to brownish powder. 2-Amino-5-nitrobenzonitrile [17420-30-3], 2-cyano-4-nitroaniline, Mr 163.13, mp 210℃, is readily soluble in acetone, chloroform, and benzene; it is sparingly soluble in water and ethanol. As already mentioned, the reaction of 2-chloro5-nitrobenzonitrile with ammonia gives 2-amino-5-nitrobenzonitrile, an intermediate for azo dyes.

安全と法規制

GHS分類

GHS Classification · 6 件

This chemical does not meet GHS hazard criteria for 56.2% (9 of 16) of all reports.

Warning

H315 (37.5%): Causes skin irritation [Warning Skin corrosion/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 16 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

危険有害性情報

Regulatory InformationStatus: No longer Valid Update: 25-09-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/31682
Hazards SummaryCauses impaired liver function tests, changes in liver weight, and other blood changes in 30-day intermittent oral studies of rats; [RTECS] A skin and strong eye irritant; [Alfa Aesar MSDS] See NITRILES. See p-Nitroaniline.
Hazard Classes and Categories · 2 件

Skin Irrit. 2 (37.5%)

Acute toxicity (Oral) - Category 5

毒性情報

Adverse EffectsOccupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation.

安全データ

wgk
2
tsca
TSCA listed
rtecs
BX2500000
毒性
mouse,LD50,oral,6710mg/kg (6710mg/kg),Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 30(1), Pg. 50, 1986.
hs_code
29269090
risk_code
20/21/22-36/37/38

化学と産業

用途と製造

General Manufacturing InformationBenzonitrile, 2-amino-5-nitro-: ACTIVE

応用分野

用途有機合成原料。

上流・下流製品情報

サプライヤー50 社

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]
上海策嵘生物科技有限公司[email protected]
河北永泰供应链管理有限公司15130657697 15130657697 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]

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