2,6-Difluorobenzoyl chloride (HCID 87438)

名称と識別子

優先名称: 2,6-Difluorobenzoyl chloride
IUPAC: 2,6-difluorobenzoyl chloride
現地名: 2,6-ジフルオロベンゾイルクロリド
英語名: 2,6-Difluorobenzoyl chloride
分子式: C7H3ClF2O
分子量: 176.55

名称と別名

2,6-Difluorobenzoyl chloride18063-02-0EINECS 241-971-2DTXSID90170988RefChem:83232DTXCID0093479241-971-2Benzoyl chloride, 3,4-difluoro-QRHUZEVERIHEPT-UHFFFAOYSA-NBenzoyl chloride, 2,6-difluoro-2,6-difluorobenzoylchlorideMFCD00000659

名称をさらに表示

2,6-ジフルオロベンゾイルクロリド2,6-ジフルオロ安息香酸クロリド2,6-ジフルオロベンゾイルクロリド2,6-ジフルオロベンゾイルクロライド塩化2,6-ジフルオロベンゾイルFACFUROIC ACIDSKL122496.0%(T&2,6-difluoro2-CARBOXYFURANPYROMUCIC ACIDAKOS BBS-00003916ALPHA-FUROIC ACIDAKOS BBS-00003721

2,6-diflurobenzoyl chloride2,6-diflourobenzoyl chloride2,6-difluoro benzoylchloride2.6-difluorobenzoyl chloride2,6-difluro-benzoyl chlorideSCHEMBL1052552,6-difluoro benzoyl chloride2,6-difluoro-benzoyl chloride

データベース識別子

CAS: 18063-02-0
PubChem CID: 87438
DTXSID: DTXSID90170988
EC Number: 241-971-2
Nikkaji: J260.859F

物性

構造計算による物性

XLogP: 2.6
極性表面積: 17.1 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: 1
重原子数: 11
形式電荷: 0
複雑度: 153

実験および物理化学的性質

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy

物理化学的性質

融点: 128 · 128-132 °C(lit.)
沸点: 72 · 72-77 °C/13 mmHg (lit.)
比重(密度): 1.404 g/mL · 1.404 g/mL at 25 °C (lit.)
屈折率: 20 · n20/D 1.501(lit.)
闪点: 121 °F · 121 °F
貯蔵温度: Inert atmosphere,Room Temperature
外見: clear liquid
色: Colorless to Light orange to Yellow
比重: 1.404 · 1.404
水溶解度: 反応する
BRN: 639438 · 639438
InChI: InChI=1S/C7H3ClF2O/c8-7(11)6-4(9)2-1-3-5(6)10/h1-3H
InChIKey: QRHUZEVERIHEPT-UHFFFAOYSA-N
SMILES: C(Cl)(=O)C1=C(F)C=CC=C1F
CAS データベース: 18063 · 18063-02-0(CAS DataBase Reference)
NISTの化学物質情報: 2 · 2,6-Difluorobenzoyl chloride(18063-02-0)

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 · 4 件

Danger

H226 (92.2%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 64 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 Information · 3 件

Chemical: Benzoyl chloride, 2,6-difluoro-

Status: Active Update: 11-10-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/24003

Benzoyl chloride, 2,6-difluoro-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and CategoriesFlam. Liq. 3 (92.2%)

安全データ

F: 21
wgk: 3
rtecs: LV1763000
ridadr: UN 2920 8/PG 2
hs_code: 29163990
risk_code: 36/37/38-34-10
消防法: 危-4-2-III
hazard_code: C
hazard_note: Corrosive
safety_code: 26-36/37/39-45-28A-16
hazard_class: 8
packing_group: II
Hazard Classifications: Eye Dam. 1Flam. Liq. 3Skin Corr. 1B
ストレージクラス: 3 - Flammable liquids

化学と産業

応用分野 · 2 件

用途有機合成原料。

使用2,6-Difluorobenzoyl chloride has been used in:the preparation of series of novel 2-aryl substituted 4H-3,1-benzoxazin-4-onesregioselective synthesis of 3,6-disubstituted-2-aminoimidazo[1,2-a]pyridineFriedel-Crafts acylation reaction of toluene, anisol, thioanisol, 4-phenoxyacetophenone and N,N-diacetyl-4-phenoxyaniline