1-Naphthaleneacetonitrile (HCID 8596)

名称と識別子

優先名称: 1-Naphthaleneacetonitrile
IUPAC: 2-naphthalen-1-ylacetonitrile
現地名: 1-ナフチルアセトニトリル
英語名: 1-Naphthylacetonitrile
分子式: C12H9N
分子量: 167.21

名称と別名

1-Naphthylacetonitrile1-NAPHTHALENEACETONITRILEalpha-Naphthyl acetonitrileNSC 9844EINECS 205-078-1BRN 1101012OV0P82P2R0AI3-26061UNII-OV0P82P2R0DTXSID30596304-09-00-02428 (Beilstein Handbook Reference)NAPHAZOLINE HYDROCHLORIDE IMPURITY C [EP IMPURITY]

名称をさらに表示

1-ナフチルアセトニトリル1-ナフタレンアセトニトリルナフタレン-1-アセトニトリル(1-ナフチル)アセトニトリル1-ナフチルメチルシアニド2-(1-ナフチル)アセトニトリル1-ナフタレニルアセトニトリル１ナフチルアセトニトリル1‐ナフチルアセトニトリル1-ナフチルアセト二トリル2-(ナフタレン-1-イル)アセトニトリルANNAFOMINA1-NAPHTHALENEACETO1-Naphthyl acetonitr1-Naphtylacetonitrile1-phthyl acetonitrileLABOTEST-BB LTBB001326a-naphthylacetonitrileNaphazoline Impurity CNaphazoline Impurity 3

NAPHAZOLINE HYDROCHLORIDE IMPURITY C (EP IMPURITY)RefChem:76453DTXCID3034080OQRMWUNUKVUHQO-UHFFFAOYSA-N132-75-22-(Naphthalen-1-yl)acetonitrile1-Naphthyl acetonitrile2-(1-naphthyl)acetonitrile

データベース識別子

CAS: 132-75-2
PubChem CID: 8596
DTXSID: DTXSID3059630
UNII: OV0P82P2R0
EC Number: 205-078-1
Nikkaji: J30.383F

物性

構造計算による物性

XLogP: 2.9
極性表面積: 23.8 Å²
水素結合供与体数: 0
水素結合受容体数: 1
回転可能結合数: 1
重原子数: 13
形式電荷: 0
複雑度: 212

実験および物理化学的性質

SpringerMaterials PropertiesSurface tension

物理化学的性質

融点: 33 · 33-35 °C(lit.)
沸点: 191 · 191-194 °C18 mm Hg(lit.)
比重(密度): 1.111 · 1.1110 (rough estimate)
屈折率: 20 · n20/D 1.6192(lit.)
闪点: 230 °F · >230 °F
貯蔵温度: Sealed in dry,Room Temperature
溶解性: Chloroform (Sparingly), Dichloromethane (Slightly), Methanol (Slightly)
外見: 融解後の液体
色: クリアイエロー～ブラウン
BRN: 1101012 · 1101012
InChI: InChI=1S/C12H9N/c13-9-8-11-6-3-5-10-4-1-2-7-12(10)11/h1-7H,8H2
InChIKey: OQRMWUNUKVUHQO-UHFFFAOYSA-N
SMILES: C1(CC#N)=C2C(C=CC=C2)=CC=C1
CAS データベース: 132 · 132-75-2(CAS DataBase Reference)
NISTの化学物質情報: 1 · 1-Naphthaleneacetonitrile(132-75-2)
EPAの化学物質情報: 1 · 1-Naphthaleneacetonitrile (132-75-2)

化学的性質

化学的特性White to yellow solid or melt. Insoluble in water.

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 4% (2 of 50) of reports.

Warning

H302 (92%): Harmful if swallowed [Warning Acute toxicity, oral]

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 50 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory InformationStatus: Active Update: 31-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/26186

Hazard Classes and CategoriesAcute Tox. 4 (92%)

安全データ

wgk: 3
tsca: TSCA listed
rtecs: AM1240000
ridadr: 3276
毒性: mouse,LD50,intravenous,180mg/kg (180mg/kg),U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#03835,
hs_code: 29269090
risk_code: 20/21/22-36/37/38-22
hazard_code: Xn
safety_code: 26-37/39-24/25-37-36
hazard_class: 6.1
packing_group: III
毒劇物取締法: 劇物

化学と産業

用途と製造

General Manufacturing Information1-Naphthaleneacetonitrile: INACTIVE

応用分野

使用2-(Naphthalen-1-yl)acetonitrile is useful for the preparation of tert-Bu benzoates.

調製方法 · 1 件

製造方法Synthesis of 1-naphthylacetonitrile: 695g of 1-chloromethyl naphthalene, 1500ml of methanol and 475ml of water, 350g of sodium cyanide mixture boiling reflux, stirring the reaction for 2h. 1300ml of methanol was evaporated, cooled, and the reactants were washed with water to neutral to obtain 670-680g of 1-naphthylacetonitrile.