4-ブロモベンズアルデヒド

4-Bromobenzaldehyde

HCID 70741CAS 1122-91-4

基本情報

標準SMILES
O=Cc1ccc(Br)cc1
InChIKey
ZRYZBQLXDKPBDU-UHFFFAOYSA-N
分子式
C7H5BrO
平均分子量
185.02 g/mol
単同位体質量
183.95238

名称と識別子

優先名称
4-Bromobenzaldehyde
IUPAC
4-bromobenzaldehyde
現地名
4-ブロモベンズアルデヒド
英語名
4-Bromobenzaldehyde
分子式
C7H5BrO
分子量
185.02

名称と別名

4-Bromobenzaldehydep-BromobenzaldehydeBenzaldehyde, 4-bromo-Benzaldehyde, p-bromo-4-formylbromobenzene1-bromo-4-formylbenzene4-BrombenzaldehydBENZALDEHYDE,4-BROMOEINECS 214-365-0NSC 216384-FORMYLPHENYL BROMIDEUNII-4L8VM24F65
名称をさらに表示
4-ブロモベンズアルデヒド4ブロモベンズアルデヒドP-ブロモベンズアルデヒド4-ブロモベンツアルデヒドP‐ブロモベンズアルデヒドBromobenzaldehyde4-BBA4-bromo-benzaldehyd4-BROMOBENZYLALDEHYDE4-Bromobenzaldehyde99%BRBA1DK4844-BromobenzaL
DTXSID50615344L8VM24F65NSC-216384-FORMYL-1-BROMOBENZENEpBromobenzaldehydeBenzaldehyde, pbromoBenzaldehyde, 4bromoRefChem:98176

データベース識別子

CAS
1122-91-4
PubChem CID
70741
DTXSID
DTXSID5061534
ChEMBL
CHEMBL3753357
UNII
4L8VM24F65
EC Number
214-365-0
Nikkaji
J30.727K

物性

構造計算による物性

XLogP
2.2
極性表面積
17.1 Ų
水素結合供与体数
0
水素結合受容体数
1
回転可能結合数
1
重原子数
9

実験および物理化学的性質

Physical DescriptionWhite crystalline powder; [Alfa Aesar MSDS]
Kovats Retention Index1207.1;1216.5;1229

物理化学的性質

融点
55 · 55-58 °C(lit.)
沸点
66 · 66-68°C 2mm
比重(密度)
1.85 g/cm3 · 1.85 g/cm3
屈折率
1.5727 · 1.5727 (estimate)
闪点
228 °F · 228 °F
貯蔵温度
30 °C · Store below +30°C.

化学的性質

化学的特性white crystalline solid

安全と法規制

GHS分類

GHS Classification · 6 件

This chemical does not meet GHS hazard criteria for 1.3% (1 of 78) of reports.

Danger

H302 (73.1%): Harmful if swallowed [Warning Acute toxicity, oral];H315 (98.7%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (98.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H334 (48.7%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory];H335 (94.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P233, P260, P261, P264, P264+P265, P270, P271, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 78 reports by companies from 17 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 1 of 78 reports by companies.;There are 16 notifications provided by 77 of 78 reports by companies with hazard statement code(s).;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

Regulatory Information · 3 件

Chemical: Benzaldehyde, 4-bromo-

Status: Active Update: 16-04-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/19372

4-Bromobenzaldehyde: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryA skin and strong eye irritant; Harmful by ingestion; [Alfa Aesar MSDS]
Hazard Classes and CategoriesAcute Tox. 4 (73.1%);Skin Irrit. 2 (98.7%);Eye Irrit. 2A (98.7%);Resp. Sens. 1 (48.7%);STOT SE 3 (94.9%)

法規制情報

Regulatory Information · 3 件

Chemical: Benzaldehyde, 4-bromo-

Status: Active Update: 16-04-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/19372

4-Bromobenzaldehyde: Does not have an individual approval but may be used under an appropriate group standard

安全データ

wgk
2
tsca
TSCA listed
rtecs
CU4810000
ridadr
2811
hs_code
29130000
risk_code
22-36/37/38-43

化学と産業

用途と製造

General Manufacturing InformationBenzaldehyde, 4-bromo-: ACTIVE
応用分野 · 3 件

用途有機合成原料。

用途ガラスクロスコーティング

使用4-Bromobenzaldehyde is widely utilized as an intermediate for the preparation of agrochemicals, pharmaceuticals and other organic compounds. It is used as a precursor and reacts with sulfamethoxazole to prepare Schiffs base, 4-[(4-Bromo-benzylidene)-amino]-N-(5-methyl-isoxazol-3-yl)-benzene sulfonamide, which can be used for the photo stability of polyvinyl chloride (PVC). It plays an important role in palladium-catalyzed mono- and bis-arylation of 3,4-(ethylenedioxy)thiophenes. It is employed in a cross-coupling study with potassium vinyltrifluoroborate.

調製方法

製造方法4-Bromobenzaldehyde is prepared by 2-Iodoxy-5-Methylbenzenesulfonic Acid-Catalyzed Selective Oxidation of 4-Bromobenzyl Alcohol.

サプライヤー50 社

国药集团化学试剂有限公司86-21-63210123 · [email protected]
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]
上海铂之泉科技有限公司13681726990 13681726990 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]

関連反応

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