2,6-ジフルオロ安息香酸

2,6-Difluorobenzoic acid

HCID 9796CAS 385-00-2
部分構造検索類似構造を探す

基本情報

標準SMILES
O=C(O)c1c(F)cccc1F
InChIKey
ONOTYLMNTZNAQZ-UHFFFAOYSA-N
分子式
C7H4F2O2
平均分子量
158.1 g/mol
単同位体質量
158.01793581

概要

structure given in first source

名称と識別子

優先名称
2,6-Difluorobenzoic acid
IUPAC
2,6-difluorobenzoic acid
現地名
2,6-ジフルオロ安息香酸
英語名
2,6-Difluorobenzoic acid
分子式
C7H4F2O2
分子量
158.1

名称と別名

2,6-DIFLUOROBENZOIC ACID385-00-2Benzoic acid, 2,6-difluoro-95B9M9KUY5NSC-126584DTXSID7075391RefChem:83230DTXCID4039520206-856-3MFCD000024112,6-DifluorobenzoicacidBRN 0973774
名称をさらに表示
2,6-ジフルオロ安息香酸2，6ジフルオロ安息香酸2,6-ジフルオロ安息香酸標準品2,6‐ジフルオロ安息香酸標準品2,6-Difluorobenzoic2.6-DifluorobeAKOS BBS-00003807RARECHEM AL BO 0020DifluorobenzoicacidDifluorobenzoic aci6-Difluorobenzoic acid2,6-Difuorobenzoic acid2,6-difluorobonzoic acid
EINECS 206-856-32,6-difluoro benzoic acidNSC 126584AI3-63060NSC126584Benzoic acid,6-difluoro-2,6,-difluorobenzoic acid2,6-difluoro-benzoic acid

データベース識別子

CAS
385-00-2
PubChem CID
9796
DTXSID
DTXSID7075391
UNII
95B9M9KUY5
EC Number
206-856-3
Nikkaji
J83.346K

物性

構造計算による物性

XLogP
1.6
極性表面積
37.3 Ų
水素結合供与体数
1
水素結合受容体数
4
回転可能結合数
1
重原子数
11

実験および物理化学的性質

Chemical ClassesOther Classes -> Benzoic Acid Derivatives
PesticidesEnvironmental transformation -> Pesticide transformation products (metabolite, successor)
LogP1.59
Vapor Pressure0.02 [mmHg]
Physical DescriptionLight brown crystalline solid; [Aldrich MSDS]

物理化学的性質

融点
157 · 157-161 °C (lit.)
沸点
72 · 72-77°C 13mm
比重(密度)
1.3486 · 1.3486 (estimate)
闪点
72 · 72-77°C/13mm
貯蔵温度
Sealed in dry,Room Temperature
溶解性
soluble in Methanol

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

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 52 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

Regulatory Information · 4 件

Chemical: Benzoic acid, 2,6-difluoro-

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Status: Active Update: 10-04-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/24004

2,6-Difluorobenzoic acid: 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.

Hazards SummaryA skin and strong eye irritant; [Aldrich MSDS]
Hazard Classes and CategoriesSkin Irrit. 2 (100%)

安全データ

wgk
3
tsca
TSCA listed
rtecs
DG8559000
hs_code
29163900
risk_code
36/37/38-37/38-36
hazard_code
Xi

化学と産業

用途と製造

Use ClassificationEnvironmental transformation -> Pesticide transformation products (metabolite, successor)
General Manufacturing InformationBenzoic acid, 2,6-difluoro-: ACTIVE
応用分野 · 4 件

用途有機合成原料。

用途2,6-ジフルオロ安息香酸試験用標準品。

使用2,6-Difluorobenzoic acid has been used in the synthesis of 2,6-difluoro-N-(3-methoxy-1H-pyrazolo[3,4-b]pyridine-5-yl)-3-(propylsulfonamidio)benzamide and methyl 2,6-difluorobenzoate.

一般的な説明2,6-Difluorobenzoic acid is the major degradation product of diflubenzuron.

上流・下流製品情報

サプライヤー50 社

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
宁太化工（山东）有限公司15314216173
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
上海赫文斯化工有限公司15721252604 17321035817 · [email protected]

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