CAS 24541-01-3 Chroman-4-one oxime (HCID 9673039)

基本情報

CAS: 24541-01-3
標準SMILES: O/N=C1\CCOc2ccccc21
InChIKey: LOWLISSVPQGXNV-CSKARUKUSA-N
分子式: C9H9NO2
平均分子量: 163.17 g/mol
単同位体質量: 163.06332853

名称と識別子

優先名称: Chroman-4-one oxime
IUPAC: (NE)-N-(2,3-dihydrochromen-4-ylidene)hydroxylamine
現地名: クロマン-4-オンオキシム
英語名: Chroman-4-One Oxime
分子式: C9H9NO2
分子量: 163.17

名称と別名

CHROMAN-4-ONE OXIME535935-39-824541-01-3(4E)-2,3-Dihydro-4H-1-benzopyran-4-one oximeMFCD00463254(NE)-N-(2,3-dihydrochromen-4-ylidene)hydroxylamineN-(3,4-dihydro-2H-1-benzopyran-4-ylidene)hydroxylamineN-[(4E)-3,4-dihydro-2H-1-benzopyran-4-ylidene]hydroxylamineSCHEMBL803512SCHEMBL9411043SCHEMBL9411126(E)-CHROMAN-4-ONEOXIME

名称をさらに表示

クロマン-4-オンオキシム3,4-ジヒドロ-2H-1-ベンゾピラン-4-オンオキシム2H-1-ベンゾピラン-4(3H)-オンオキシムN-(3,4-ジヒドロ-2H-1-ベンゾピラン-4-イリデン)ヒドロキシルアミン(E)-Chroman-4-One Oxime(E)-Chroman-4-One Oxime(WXC02425)N-Hydroxy-2,3-dihydro-4H-chromen-4-imine4H-1-Benzopyran-4-one, 2,3-dihydro-, oxime

AKOS001404347NCGC00320519-01CS-0037400AB01138559-03F306550F601810

データベース識別子

CAS: 24541-01-3
PubChem CID: 9673039
EC Number: 127-288-1

物性

構造計算による物性

XLogP: 1.6
極性表面積: 41.8 Å²
水素結合供与体数: 1
水素結合受容体数: 3
回転可能結合数: 0
重原子数: 12
形式電荷: 0
複雑度: 191

物理化学的性質

融点: 138 °C · 138 °C
沸点: 323.7 · 323.7±22.0 °C(Predicted)
比重(密度): 1.26 · 1.26±0.1 g/cm3(Predicted)
酸解離定数(Pka): 10.83 · 10.83±0.20(Predicted)

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.