N-3-Bromopropylphthalimide (HCID 21611)

名称と識別子

優先名称: N-3-Bromopropylphthalimide
IUPAC: 2-(3-bromopropyl)isoindole-1,3-dione
現地名: N-(3-ブロモプロピル)フタルイミド
英語名: N-(3-BROMOPROPYL)PHTHALIMIDE
分子式: C11H10BrNO2
分子量: 268.11

名称と別名

N-(3-BROMOPROPYL)PHTHALIMIDE5460-29-7N-3-Bromopropylphthalimide3-Bromopropylphthalimide1-Phthalimido-3-bromopropanegamma-BromopropylphthalimidePhthalimide, N-(3-bromopropyl)-1H-Isoindole-1,3(2H)-dione, 2-(3-bromopropyl)-VQG2G776PSNSC 24937EINECS 226-738-5NSC 25170

名称をさらに表示

N-(3-ブロモプロピル)フタルイミド2-(3-ブロモプロピル)イソインドリン-1,3-ジオン2-(3-ブロモプロピル)-2H-イソインドール-1,3-ジオン2-(3-ブロモプロピル)-2H-イソインドール1,3-ジオン2-(3-ブロモプロピル)-1H-イソインドール-1,3(2H)-ジオンN-3-ブロモプロピルフタルイミドN‐(3‐ブロモプロピル)フタルイミドN-(3-ブロモプロピル)フタルイミド, 98%2-(3-ブロモプロピル)-2,3-ジヒドロ-1H-イソインドール-1,3-ジオン1-ブロモ-3-フタルイミジルプロパン2-(3-BROMO-PROPYL)-ISOINDOLE-1,3-DIONE2-(3-BroMopropyl)isoindoline-1.3-dioneAKOS 226-47AURORA KA-570TIMTEC-BB SBB003049LABOTEST-BB LT00455358(3-bromopropyl)phthalimideN-(3-Bromopropyl)phthahmideN-(3-bromopropyl)pthalimide

NSC-24937NSC-25170DTXSID40203033RefChem:828788DTXCID40125524Phthalimide, N-(3-bromopropyl)-(8CI)1H-Isoindole-1,3(2H)-dione, 2-(3-bromopropyl)-(9CI)226-738-5

データベース識別子

CAS: 5460-29-7
PubChem CID: 21611
DTXSID: DTXSID40203033
UNII: VQG2G776PS
EC Number: 226-738-5
Nikkaji: J37.060F

物性

構造計算による物性

XLogP: 2.6
極性表面積: 37.4 Å²
水素結合供与体数: 0
水素結合受容体数: 2
回転可能結合数: 3
重原子数: 15
形式電荷: 0
複雑度: 256

物理化学的性質

融点: 72 · 72-74 °C(lit.)
沸点: 361 ℃ · 361℃
比重(密度): 1.578 · 1.578
屈折率: 1.632 · 1.6320 (estimate)
闪点: 172 ℃ · 172℃
貯蔵温度: Inert atmosphere,Room Temperature
溶解性: 1 g/l · <1g/l
外見: 結晶性粉末または結晶
酸解離定数(Pka): -2.21 · -2.21±0.20(Predicted)
色: ホワイトからライトベージュ
BRN: 157547 · 157547
InChI: InChI=1S/C11H10BrNO2/c12-6-3-7-13-10(14)8-4-1-2-5-9(8)11(13)15/h1-2,4-5H,3,6-7H2
InChIKey: VKJCJJYNVIYVQR-UHFFFAOYSA-N
SMILES: C1(=O)C2=C(C=CC=C2)C(=O)N1CCCBr
CAS データベース: 5460 · 5460-29-7(CAS DataBase Reference)

化学的性質

化学的特性white powder

安全と法規制

GHS分類

GHS Classification · 6 件

This chemical does not meet GHS hazard criteria for 25% (1 of 4) of reports.

Warning

H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (75%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (75%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 4 reports by companies from 4 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 4 reports by companies.；There are 3 notifications provided by 3 of 4 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 Information1H-Isoindole-1,3(2H)-dione, 2-(3-bromopropyl)-: 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 CategoriesAcute Tox. 4 (25%)；Skin Irrit. 2 (75%)；Eye Irrit. 2A (75%)；STOT SE 3 (50%)

法規制情報

Regulatory Information1H-Isoindole-1,3(2H)-dione, 2-(3-bromopropyl)-: 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.

安全データ

wgk: 3
hs_code: 29251900
risk_code: 36/37/38
safety_code: 22-24/25
ストレージクラス: 11 - Combustible Solids

化学と産業

調製方法 · 1 件

純化方法Place it in a Soxhlet and extract it with Et2O, whereby the bis-phthalimido impurity is not extracted. Evaporate the Et2O and recrystallise the residue from EtOH, aqueous EtOH or pet ether. [Gabriel & Weiner Chem Ber 21 2669 1888, Gaudry Can J Chem 31 1060 1953, Beilstein 21/10 V 1277.]