2,3-Difluorobenzonitrile (HCID 88935)

名称と識別子

優先名称: 2,3-Difluorobenzonitrile
IUPAC: 2,3-difluorobenzonitrile
現地名: 2,3-ジフルオロベンゾニトリル
英語名: 2,3-Difluorobenzonitrile
分子式: C7H3F2N
分子量: 139.1

名称と別名

2,3-Difluorobenzonitrile21524-39-0DTXSID40175862RefChem:81645DTXCID9098353244-418-3Benzonitrile, 2,3-difluoro-MFCD000099762,3-difluorobenzenecarbonitriledifluorobenzonitrile2,3-Difluorobenzonitril2,3-difluoro-benzonitrile

名称をさらに表示

2,3-ジフルオロベンゾニトリル２·３ジフルオロベンゾニトリル2,3‐ジフルオロベンゾニトリルBUTTPARK 87\01-742,3-Difluorobenzonit2,3-fluorobenzonitrile,3-Difluorobenzonitrile2,3-Difluorobenzonitrile22,3-Difluorobenzonitrile98%2,3-Difluorobenzonitrile>2,3-Difluorobenzonitrile 98%

SCHEMBL1585371,2-difluoro-3-cyano-benzeneSCHEMBL2649838SCHEMBL2649839SCHEMBL304438472,3-Difluorobenzonitrile, 98%EINECS 244-418-3CL8131

データベース識別子

CAS: 21524-39-0
PubChem CID: 88935
DTXSID: DTXSID40175862
EC Number: 244-418-3
Nikkaji: J149.702B

物性

構造計算による物性

XLogP: 1.8
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: 3
回転可能結合数: 0
重原子数: 10
形式電荷: 0
複雑度: 160

物理化学的性質

沸点: 189 °C · 189 °C
比重(密度): 1.254 g/mL · 1.254 g/mL at 25 °C (lit.)
屈折率: 20 · n20/D 1.4882(lit.)
闪点: 167 °F · 167 °F
貯蔵温度: Sealed in dry,Room Temperature
外見: clear liquid
色: Colorless to Light orange to Yellow
比重: 1.254 · 1.254
BRN: 2085621 · 2085621
InChI: 1S/C7H3F2N/c8-6-3-1-2-5(4-10)7(6)9/h1-3H
InChIKey: GKPHNZYMLJPYJJ-UHFFFAOYSA-N
SMILES: Fc1cccc(C#N)c1F
CAS データベース: 21524 · 21524-39-0(CAS DataBase Reference)

化学的性質

化学的特性colorless to light yellow liquid.

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (95.9%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (95.9%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (98%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (95.9%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (93.9%): 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 49 reports by companies from 9 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 (95.9%)；Acute Tox. 4 (95.9%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (98%)；Acute Tox. 4 (95.9%)；STOT SE 3 (93.9%)

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,T,Xi
hazard_note: Toxic
safety_code: 26-36/37/39-36/37
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