5-クロロ-2-アダマンタノン

5-Chloro-2-adamantanone

HCID 334400

基本情報

CAS
20098-17-3
標準SMILES
O=C1C2CC3CC1CC(Cl)(C3)C2
InChIKey
JPEOUSFBWXVGFX-UHFFFAOYSA-N
分子式
C10H13ClO
平均分子量
184.66 g/mol
単同位体質量
184.0654927

名称と識別子

優先名称
5-Chloro-2-adamantanone
IUPAC
5-chloroadamantan-2-one
現地名
5-クロロ-2-アダマンタノン
英語名
5-CHLORO-2-ADAMANTANONE
分子式
C10H13ClO
分子量
184.66

名称と別名

5-Chloro-2-adamantanoneDTXSID80319081RefChem:534507DTXCID80270204887-081-35-chloroadamantan-2-one20098-17-3Adamantan-4-one, 1-chloroMFCD007985995-chloro-2 adamantanone5-chloroadamantane-2-oneNSC339495
名称をさらに表示
5-クロロ-2-アダマンタノン5-クロロアダマンタン-2-オン(1R,3S,7s)-5-クロロアダマンタン-2-オンCLADONAKOS BC-05005-CLORO-2-ADAMANTONE5-CHLORO-1-ADAMANTANONE5-Chloro-2-ketoadamantane
Tricyclo[3.3.1.13,7]decan-2-one, 5-chloro-SCHEMBL232917AKOS016844283NSC-339495AS-121615-chloro-2-adamantoneC2140CS-0128441

データベース識別子

CAS
20098-17-3
PubChem CID
334400
DTXSID
DTXSID80319081
EC Number
887-081-3

物性

構造計算による物性

XLogP
1.8
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
0
重原子数
12

実験および物理化学的性質

Kovats Retention Index1483

物理化学的性質

融点
200 °C · 200 °C
沸点
289.1 · 289.1±33.0 °C(Predicted)
比重(密度)
1.24 · 1.24±0.1 g/cm3(Predicted)
貯蔵温度
2 · 2-8°C, stored under nitrogen
溶解性
soluble in Methanol
外見
powder to crystal

安全と法規制

GHS分類

GHS Classification · 6 件

This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral];H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (50%): 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 2 reports by companies from 2 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 2 reports by companies.;There is 1 notification provided by 1 of 2 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

Hazard Classes and CategoriesAcute Tox. 4 (50%);Skin Irrit. 2 (50%);Eye Irrit. 2A (50%);STOT SE 3 (50%)

安全データ

hs_code
2914.29.5000
risk_code
20/21/22-36/37/38
hazard_code
Xn
safety_code
26-36
hazard_class
IRRITANT

化学と産業

サプライヤー84 社

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
江苏星科元信息科技有限公司400-605-7200 15335295587

関連反応

5 件

化合物ノート

読み込み中…