3-Methoxybenzonitrile (HCID 73712)

名称と識別子

優先名称: 3-Methoxybenzonitrile
IUPAC: 3-methoxybenzonitrile
現地名: 3-メトキシベンゾニトリル
英語名: 3-Methoxybenzonitrile
分子式: C8H7NO
分子量: 133.15

名称と別名

3-METHOXYBENZONITRILE1527-89-5Benzonitrile, 3-methoxy-m-Cyanoanisolem-Anisonitrilem-MethoxybenzonitrileBenzonitrile, m-methoxy-UY5E89BBS6NSC-225049DTXSID4074695meta-methoxybenzonitrileRefChem:94632

名称をさらに表示

3-メトキシベンゾニトリル1-メトキシ-3-シアノベンゼンm-メトキシベンゾニトリル1-シアノ-3-メトキシベンゼン３メトキシベンゾニトリル3-シアノアニソール3‐メトキシベンゾニトリル3-メトキシベンゾニトリル, 98%AKOS B0040873-methoxybenzontrile1-Methoxy-3-cyanobenzene1-Cyano-3-methoxybenzene

DTXCID4034940216-201-33-Cyanoanisole3-methoxy benzonitrilem-MethoxybenzontrileMFCD000018013-anisonitrile3-methoxybenzenecarbonitrile

データベース識別子

CAS: 1527-89-5
PubChem CID: 73712
DTXSID: DTXSID4074695
UNII: UY5E89BBS6
EC Number: 216-201-3
Nikkaji: J206.738B

物性

構造計算による物性

XLogP: 1.4
極性表面積: 33 Å²
水素結合供与体数: 0
水素結合受容体数: 2
回転可能結合数: 1
重原子数: 10
形式電荷: 0
複雑度: 147

物理化学的性質

融点: 20 · 20-22°C
沸点: 111 · 111-112 °C13 mm Hg(lit.)
比重(密度): 1.089 g/mL · 1.089 g/mL at 25 °C(lit.)
屈折率: 20 · n20/D 1.5402(lit.)
闪点: 221 °F · 221 °F
貯蔵温度: Sealed in dry,Room Temperature
水溶解度: Slightly soluble in water
外見: powder to lump to clear liquid
色: White or Colorles to Yellow to Orange
BRN: 1932666 · 1932666
InChI: InChI=1S/C8H7NO/c1-10-8-4-2-3-7(5-8)6-9/h2-5H,1H3
InChIKey: KLXSUMLEPNAZFK-UHFFFAOYSA-N
SMILES: C(#N)C1=CC=CC(OC)=C1
CAS データベース: 1527 · 1527-89-5(CAS DataBase Reference)
NISTの化学物質情報: m-Methoxybenzontrile(1527-89-5)
EPAの化学物質情報: 3 · Benzonitrile, 3-methoxy- (1527-89-5)

化学的性質

化学的特性clear colourless to light yellow liquid

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (97.8%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (97.8%): 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 (97.8%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (87%): 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 46 reports by companies from 6 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 (97.8%)；Acute Tox. 4 (97.8%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；Acute Tox. 4 (97.8%)；STOT SE 3 (87%)

安全データ

wgk: 3
ridadr: 3276
hs_code: 29269090
risk_code: 20/21/22-36/37/38
消防法: 危-4-3-III
hazard_code: Xn,Xi
hazard_note: Irritant
safety_code: 26-37/39-36/37-24/25
hazard_class: 6.1
packing_group: III
毒劇物取締法: 劇物
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 10 - Combustible liquids

化学と産業

応用分野

使用3-Methoxybenzonitrile has been used in the synthesis of new organic pigments which were evaluated as the active medium of the solid-state dye laser.

一般的な説明3-Methoxybenzonitrile undergoes dealkylation on treatment with SiCl4/LiI and BF3.