シクロヘプタンカルボニトリル

Cycloheptanecarbonitrile

HCID 96653

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 32730-85-1
標準SMILES: N#CC1CCCCCC1
InChIKey: UIZRDFICGGONJJ-UHFFFAOYSA-N
分子式: C8H13N
平均分子量: 123.2 g/mol
単同位体質量: 123.10479942

名称と識別子

優先名称: Cycloheptanecarbonitrile
IUPAC: cycloheptanecarbonitrile
現地名: シクロヘプタンカルボニトリル
英語名: CYCLOHEPTYL CYANIDE
分子式: C8H13N
分子量: 123.2

名称と別名

Cycloheptanecarbonitrile32730-85-1Cycloheptyl cyanideEINECS 251-180-4AI3-33238DTXSID50186404NSC 84183RefChem:129505DTXCID20108895251-180-4UIZRDFICGGONJJ-UHFFFAOYSA-NMFCD00004148

名称をさらに表示

シクロヘプタン-1-カルボニトリルシクロヘプタンカルボニトリルシクロヘプチルシアニドCYANOCYCLOHEPTANETIMTEC-BB SBB008917Cycloheptane-1-carbonitrile

NSC84183cycloheptankohlenitrileCycloheptyl cyanide, 97%SCHEMBL59959SCHEMBL2533242SCHEMBL2538718SCHEMBL2539223SCHEMBL8075516

データベース識別子

CAS: 32730-85-1
PubChem CID: 96653
DTXSID: DTXSID50186404
EC Number: 251-180-4
Nikkaji: J275.840G

物性

構造計算による物性

XLogP: 2.6
極性表面積: 23.8 Å²
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: 9
形式電荷: 0
複雑度: 112

物理化学的性質

沸点: 85 · 85-86 °C10 mm Hg(lit.)
比重(密度): 0.925 g/mL · 0.925 g/mL at 25 °C(lit.)
屈折率: 20 · n20/D 1.464(lit.)
闪点: 185 °F · 185 °F
貯蔵温度: Sealed in dry,Room Temperature
CAS データベース: 32730 · 32730-85-1

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): 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, P317, 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 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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.