2-Chloro-4,5-difluorobenzonitrile

HCID 4085849

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 135748-34-4
標準SMILES: N#Cc1cc(F)c(F)cc1Cl
InChIKey: AKZDICFDUJUQRX-UHFFFAOYSA-N
分子式: C7H2ClF2N
平均分子量: 173.55 g/mol
単同位体質量: 172.98438318

名称と識別子

優先名称: 2-Chloro-4,5-difluorobenzonitrile
IUPAC: 2-chloro-4,5-difluorobenzonitrile
英語名: 2-Chloro-4,5-difluorobenzonitrile
分子式: C7H2ClF2N
分子量: 173.55

名称と別名

2-Chloro-4,5-difluorobenzonitrile135748-34-4DTXSID90399152RefChem:258622DTXCID403500112-chloro-4,5-difluoro-benzonitrileMFCD02871619Benzonitrile, 2-chloro-4,5-difluoro-SCHEMBL3336692AKOS003286661DS-0982AMY14462

名称をさらに表示

2-Chloro-4,5-difluorobenzonitrile98%2-Chloro-4,5-difluorobenzonitrile 98%

2-chloro-4,5-difluorobenzenecarbonitrile4,5-Difluoro-2-chlorobenzonitrile2-Chloro-4,5-difluorobenzonitrile,SBB0638642-Chloro-4,5-difluorobenzonitrile, 97%AC-26119SY007781DB-042313

データベース識別子

CAS: 135748-34-4
PubChem CID: 4085849
DTXSID: DTXSID90399152
EC Number: 679-043-8

物性

構造計算による物性

XLogP: 2.5
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: 11
形式電荷: 0
複雑度: 188

物理化学的性質

融点: 33 · 33-36℃
沸点: 231.5 · 231.5±35.0 °C(Predicted)
比重(密度): 1.43 · 1.43±0.1 g/cm3(Predicted)
貯蔵温度: Sealed in dry,Room Temperature
InChI: 1S/C7H2ClF2N/c8-5-2-7(10)6(9)1-4(5)3-11/h1-2H
InChIKey: AKZDICFDUJUQRX-UHFFFAOYSA-N
SMILES: Fc1cc(Cl)c(cc1F)C#N
CAS データベース: 135748 · 135748-34-4(CAS DataBase Reference)

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302+H312+H332 (90.5%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

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

Aggregated GHS information provided per 42 reports by companies from 2 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 (100%)

安全データ

wgk: WGK 3
ridadr: 3276
hs_code: 2926907090
risk_code: 20/21/22-36/37/38
hazard_code: Xn
safety_code: 26-36/37/39-39
hazard_class: 6.1
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2
ストレージクラス: 13 - Non Combustible Solids