基本情報
- CAS
37743-18-3- 標準SMILES
C[N+](C)=C1OCCC1(c1ccccc1)c1ccccc1.[Br-]- InChIKey
QJPXLCQSAFQCBD-UHFFFAOYSA-M- 分子式
- C18H20BrNO
- 平均分子量
- 346.3 g/mol
- 単同位体質量
- 345.07282636
名称と識別子
- 優先名称
- (Dihydro-3,3-diphenyl-3H-furan-2-ylidene)dimethylammonium bromide
- IUPAC
- (3,3-diphenyloxolan-2-ylidene)-dimethylazanium bromide
- 現地名
- N-[(4,5-ジヒドロ-3,3-ジフェニルフラン)-2(3H)-イリデン]-N-メチルメタンアミニウム・ブロミド
- 英語名
- 3,3-Diphenyltetrahydrofuran-2-ylidene(dimethyl)ammonium bromide
- 分子式
- C18H20NO.Br
- 分子量
- 346.27
名称と別名
dimethyl(tetrahydro-3,3-diphenyl-2-furylidene)ammonium bromideEINECS 253-649-9(Dihydro-3,3-diphenyl-3H-furan-2-ylidene)dimethylammonium bromideRefChem:406152253-649-937743-18-33,3-Diphenyltetrahydrofuran-2-ylidene(dimethyl)ammonium bromideDihydro-N,N-dimethyl-3,3-diphenyl-2(3H)-furaniminium bromideMFCD02093792(3,3-diphenyloxolan-2-ylidene)-dimethylazanium;bromide(3,3-Diphenyldihydrofuran-2-ylidine)dimethylammoniumbromide5-(Dimethylamino)-4,4-diphenyl-3,4-dihydro-2H-furan-1-ium bromide
名称をさらに表示
N-[(4,5-ジヒドロ-3,3-ジフェニルフラン)-2(3H)-イリデン]-N-メチルメタンアミニウム・ブロミドLoperamide ImpurityLoperamide Impurity 9Loperamide IntermediateDimethyl-(tetrahydro-3,3-diphenyl-2(3,3-DIPHENYLDIHYDROFURAN-2-YLIDIUM)AMMONIUM BROMIDEDihydro-N,N-dimethyl-3,3-diphenyl-2-(3H)-furaminium bromide(3,3-DIPHENYLDIHYDROFURAN-2-YLIDINE)DIMETHYLAMMONIUM BROMIDEDimethyl-(tetrahydro-3,3-diphenyl-2-furilidine)ammonium Brom
物性
構造計算による物性
- 極性表面積
- 12.2 Ų
- 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
- 2
- 重原子数
- 21
- 形式電荷
- 0
- 複雑度
- 340
物理化学的性質
- 融点
- 174.2 · 174.2-177.4 °C
- 比重(密度)
- 1.3296 · 1.3296 (rough estimate)
- 蒸気圧
- 0.002 · 0.002-0.007Pa at 20-25℃
- 屈折率
- 1.557 · 1.5570 (estimate)
- 溶解性
- 500 g/L · >500g/L (20℃)
- 外見
- Solid:particulate/powder
- 水溶解度
- 500 g/L · >500g/L (20℃)
- InChI
- InChI=1S/C18H20NO.BrH/c1-19(2)17-18(13-14-20-17,15-9-5-3-6-10-15)16-11-7-4-8-12-16;/h3-12H,13-14H2,1-2H3;1H/q+1;/p-1
- InChIKey
- QJPXLCQSAFQCBD-UHFFFAOYSA-M
- SMILES
- C1(CCO/C/1=[N+](/C)\C)(C1=CC=CC=C1)C1C=CC=CC=1.[Br-]
- LogP
- -2.3 at · -2.3 at 20℃ and pH7
化学的性質
化学的特性white to beige powder
安全と法規制
GHS分類
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P203, P260, P261, P264, P264+P265, P270, P272, P273, P280, P301+P317, P302+P352, P305+P354+P338, P317, P318, P319, P321, P330, P333+P317, P362+P364, P391, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 7 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory InformationStatus: Active Update: 06-12-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/22057
Hazard Classes and CategoriesAcute Tox. 4 (100%)
安全データ
- hs_code
- 29321900
- risk_code
- 68-22
- hazard_code
- Xn,Xi
- safety_code
- 45-36/37
- hazard_class
- IRRITANT
化学と産業
上流・下流製品情報
上流原料
下流製品
サプライヤー34 社
艾吉析科技（上海）有限公司17717235263 · [email protected]
普善实业（陕西）有限公司
関連反応
15 件
化合物ノート
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