4-Aminobenzonitrile (HCID 13396)

名称と識別子

優先名称: 4-Aminobenzonitrile
IUPAC: 4-aminobenzonitrile
現地名: 4-アミノベンゾニトリル
英語名: 4-Aminobenzonitrile
分子式: C7H6N2
分子量: 118.14

名称と別名

4-Aminobenzonitrile873-74-54-CyanoanilineP-AMINOBENZONITRILEp-CyanoanilineBenzonitrile, 4-amino-Benzonitrile, p-amino-1-Amino-4-cyanobenzenePB8V69Y76TDTXSID0061240NSC-7625para-aminobenzonitrile

名称をさらに表示

4-アミノベンゾニトリル1-アミノ-4-シアノベンゼン4-シアノ-1-ベンゼンアミン1-シアノ-4-アミノベンゼンp-アミノベンゾニトリル4-シアノベンゼンアミンp-アミノベンゼン-1-カルボニトリル4-シアノアニリンp-シアノアニリンｐアミノベンゾニトリル4‐アミノベンゾニトリル4-AMinobenzonitirlePABNNSC 7625AKOS 91151AKOS B029065p-cyano-anilin

RefChem:97838DTXCID3048578212-850-1Aniline, p-cyano-MFCD000078214-amino-benzonitrilep-Cyanophenylamineaniline, 4-cyano-

データベース識別子

CAS: 873-74-5
PubChem CID: 13396
DTXSID: DTXSID0061240
UNII: PB8V69Y76T
EC Number: 212-850-1
Nikkaji: J46.531C

物性

構造計算による物性

XLogP: 1.3
極性表面積: 49.8 Å²
水素結合供与体数: 1
水素結合受容体数: 2
回転可能結合数: 0
重原子数: 9
形式電荷: 0
複雑度: 125

実験および物理化学的性質

Vapor Pressure0.00887 [mmHg]

Physical DescriptionOff-white crystalline powder; Slightly soluble in water; [MSDSonline]

物理化学的性質

融点: 83 · 83-85 °C(lit.)
沸点: 167 °C · 167 °C / 1mmHg
比重(密度): 1.1151 · 1.1151 (rough estimate)
蒸気圧: 0.002 · 0.002-0.005Pa at 20-25℃
屈折率: 1.55 · 1.5500 (estimate)
貯蔵温度: Keep in dark place,Inert atmosphere,Room temperature
溶解性: Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
外見: 結晶性粉末チャンク
酸解離定数(Pka): 1.74 · 1.74(at 25℃)
色: オフホワイトまたはベージュからオレンジイエロー
水溶解度: 酢酸エチル、ジクロロメタン、クロロホルムに可溶。水に不溶。
BRN: 774507 · 774507
安定性: Toxic
InChI: 1S/C7H6N2/c8-5-6-1-3-7(9)4-2-6/h1-4H,9H2
InChIKey: YBAZINRZQSAIAY-UHFFFAOYSA-N
SMILES: Nc1ccc(cc1)C#N
LogP: 1 at · 1 at 20℃ and pH7
CAS データベース: 873 · 873-74-5(CAS DataBase Reference)
NISTの化学物質情報: 4 · Benzonitrile, 4-amino-(873-74-5)
EPAの化学物質情報: 4 · Benzonitrile, 4-amino- (873-74-5)

化学的性質

化学的特性off-white or beige to orange-yellow crystalline

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H301 (88.1%): Toxic if swallowed [Danger Acute toxicity, oral]；H302 (11.9%): Harmful if swallowed [Warning Acute toxicity, oral]；H311 (14.9%): Toxic in contact with skin [Danger Acute toxicity, dermal]；H315 (11.9%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (88.1%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H331 (10.4%): Toxic if inhaled [Danger Acute toxicity, inhalation]；H335 (10.4%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 67 reports by companies from 15 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

Regulatory Information · 2 件

Status: Active Update: 04-04-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/25637；Status: Active Update: 05-09-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/17688

4-Aminobenzonitrile: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryAn eye irritant; [eChemPortal: ERMA] An irritant; Effects in high-dose animal studies include cyanosis; [MSDSonline] See NITRILES.

Hazard Classes and CategoriesAcute Tox. 3 (88.1%)；Acute Tox. 4 (11.9%)；Acute Tox. 3 (14.9%)；Skin Irrit. 2 (11.9%)；Eye Irrit. 2A (88.1%)；Acute Tox. 3 (10.4%)；STOT SE 3 (10.4%)

法規制情報

Regulatory Information · 2 件

Status: Active Update: 04-04-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/25637；Status: Active Update: 05-09-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/17688

4-Aminobenzonitrile: Does not have an individual approval but may be used under an appropriate group standard

安全データ

wgk: 3
tsca: TSCA listed
rtecs: BX2320000
ridadr: UN 2811 6.1/PG 3
hs_code: 29269095
risk_code: 22-36-36/37/38-20/21/22
化審法: (3)-1812
hazard_code: Xn,Xi
hazard_note: Harmful
safety_code: 26-36
hazard_class: 6.1
packing_group: III
毒劇物取締法: 劇物
Hazard Classifications: Acute Tox. 4 OralAquatic Chronic 3Muta. 2
ストレージクラス: 11 - Combustible Solids

化学と産業

用途と製造

General Manufacturing InformationBenzonitrile, 4-amino-: ACTIVE

応用分野

用途有機合成原料、液晶原料。

調製方法

純化方法It crystallises from water, 5% aqueous EtOH or EtOH and is dried over P2O5 or dried in vacuo for 6hours at 40o. [Moore et al. J Am Chem Soc 108 2257 1986, Edidin et al. J Am Chem Soc 109 3945 1987, Beilstein 14 IV 1158.]

上流・下流製品情報

下流製品

p-シアノフェニルイソシアナートビカルタミド 4-ジメチルアミノベンジルアミン二塩酸塩 4-(ジメチルアミノ)ベンゾニトリル 4-アミノベンズアミド Formamide, N-(4-cyanophenyl)-N-methyl-4-hydrazinylbenzonitrile 1-(4-シアノフェニル)-2,5-ジメチルピロール tert-Butyl 4-cyanophenylcarbamate 4-(Difluoromethyl)benzonitrile 4-Cyanothiophenol 3,4-ジアミノベンゼンカルボキシイミドアミド

サプライヤー50 社

杭州创引化工科技有限公司0571-87086220 13516718938 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

衢州润东化工有限公司0570-8789886 18892685668 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

宁波君龙新材料有限公司0574 88552216 19032109277 · [email protected]

4-アミノベンゾニトリル

基本情報