1-oxo-2,3-dihydro-1H-indene-5-carbonitrile

HCID 312896CAS 25724-79-2

基本情報

標準SMILES: N#Cc1ccc2c(c1)CCC2=O
InChIKey: CAJDYMAFIOUARK-UHFFFAOYSA-N
分子式: C10H7NO
平均分子量: 157.17 g/mol
単同位体質量: 157.05276385

名称と識別子

優先名称: 1-oxo-2,3-dihydro-1H-indene-5-carbonitrile
IUPAC: 1-oxo-2,3-dihydroindene-5-carbonitrile
英語名: 1-Oxo-2,3-dihydro-1H-indene-5-carbonitrile
分子式: C10H7NO
分子量: 157.17

名称と別名

1-OXO-2,3-DIHYDRO-1H-INDENE-5-CARBONITRILERefChem:435322847-003-025724-79-22,3-Dihydro-1-oxo-1H-indene-5-carbonitrile5-Cyano-1-indanone1-oxo-2,3-dihydroindene-5-carbonitrile1-OXOINDANE-5-CARBONITRILEMFCD082346851-Oxoindan-5-carbonitrile1H-INDENE-5-CARBONITRILE, 2,3-DIHYDRO-1-OXO-NSC225101

名称をさらに表示

NSC 2251015-Cyano-1-Indenone5-Isocyano-2,3-dihydroinden-1-one23. 1-(3-amino-4-Pyridine)ethanol-1-OXO-2,3-DIHYDRO-1H-INDENE-5-CARBONITRIL

1-oxo-indan-5-carbonitrileSCHEMBL1031985SCHEMBL29741348DTXSID80310311CAJDYMAFIOUARK-UHFFFAOYSA-NAKOS006284496CS-W023175FS-2960

データベース識別子

CAS: 25724-79-2
PubChem CID: 312896
DTXSID: DTXSID80310311
EC Number: 847-003-0
Nikkaji: J2.222.908G

物性

構造計算による物性

XLogP: 1.4
極性表面積: 40.9 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: 0
重原子数: 12
形式電荷: 0
複雑度: 250

物理化学的性質

融点: 128 · 128-130 °C
沸点: 325.6 · 325.6±31.0 °C(Predicted)
比重(密度): 1.23 · 1.23±0.1 g/cm3(Predicted)
貯蔵温度: Sealed in dry,Room Temperature
InChI: InChI=1S/C10H7NO/c11-6-7-1-3-9-8(5-7)2-4-10(9)12/h1,3,5H,2,4H2
InChIKey: CAJDYMAFIOUARK-UHFFFAOYSA-N
SMILES: C1(=O)C2=C(C=C(C#N)C=C2)CC1

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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.