2,5-ジフルオロベンゾニトリル

2,5-Difluorobenzonitrile

HCID 123558

ノート反応

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基本情報

CAS: 64248-64-2
標準SMILES: N#Cc1cc(F)ccc1F
InChIKey: OJTMHIMQUQOLJV-UHFFFAOYSA-N
分子式: C7H3F2N
平均分子量: 139.1 g/mol
単同位体質量: 139.02335554

名称と識別子

優先名称: 2,5-Difluorobenzonitrile
IUPAC: 2,5-difluorobenzonitrile
現地名: 2,5-ジフルオロベンゾニトリル
英語名: 2,5-Difluorobenzonitrile
分子式: C7H3F2N
分子量: 139.1

名称と別名

2,5-Difluorobenzonitrile64248-64-2Benzonitrile, 2,5-difluoro-DTXSID20214465EINECS 264-753-9RefChem:82846DTXCID20136956264-753-9OJTMHIMQUQOLJV-UHFFFAOYSA-NMFCD000017772,5-Difluoro-Benzonitrile2,5 difluorobenzonitrile

名称をさらに表示

2,5-ジフルオロベンゾニトリル2，5‐ジフルオロベンゾニトリル２·５ジフルオロベンゾニトリル2,5-difluoro nitrile2,5-Difluorobenzonit2,5-Difluorobenzonitrle2,5-difluorobenzylnitrile2,5-Difluorobenzonitrile >2,5-Difluorobenzonitrile 98%2,5-Difluorobenzonitrile,99%2,5-Difluorobenzonitrile,98%

2,5 -difluorobenzonitrileSCHEMBL748072,5-difluorobenzenecarbonitrileCS-W016483AC-4060SB740712,5-DIFLUORO BENZONITRILE2.5-difluoro benzonitrile

データベース識別子

CAS: 64248-64-2
PubChem CID: 123558
DTXSID: DTXSID20214465
UNII: KV4R6B8YXU
EC Number: 264-753-9
Nikkaji: J208.420A

物性

構造計算による物性

XLogP: 2
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

融点: 33 · 33-35 °C (lit.)
沸点: 188 °C · 188 °C
比重(密度): 1.249 · 1.2490 (estimate)
闪点: 172 °F · 172 °F
貯蔵温度: Sealed in dry,Room Temperature
外見: powder to lump to clear liquid
色: White or Colorles to Yellow to Orange
BRN: 2085640 · 2085640
InChI: 1S/C7H3F2N/c8-6-1-2-7(9)5(3-6)4-10/h1-3H
InChIKey: OJTMHIMQUQOLJV-UHFFFAOYSA-N
SMILES: Fc1ccc(F)c(c1)C#N
CAS データベース: 64248 · 64248-64-2(CAS DataBase Reference)
NISTの化学物質情報: 2 · 2,5-Difluorobenzonitrile(64248-64-2)

化学的性質

化学的特性white to light yellow crystal powder

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (93.6%): 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 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (93.6%)

安全データ

wgk: 3
ridadr: UN 1325 4.1/PG 2
hs_code: 29269090
risk_code: 20/21/22-36/37/38
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: 4.1B - Flammable solid hazardous materials