4,4-二甲基-3,4-二氢萘-1(2H)-酮

4,4-Dimethyl-3,4-dihydro-2H-naphthalen-1-one

HCID 236547CAS 2979-69-3
子结构检索查找相似结构

基本信息

标准SMILES
CC1(C)CCC(=O)c2ccccc21
InChIKey
NHDVZOXPHYFANX-UHFFFAOYSA-N
分子式
C12H14O
平均分子量
174.24 g/mol
单同位素质量
174.10446507

名称与标识

首选名称
4,4-Dimethyl-3,4-dihydro-2H-naphthalen-1-one
IUPAC
4,4-dimethyl-2,3-dihydronaphthalen-1-one
中文名
4,4-二甲基-3,4-二氢萘-1(2H)-酮
英文名
4,4-Dimethyl-3,4-dihydro-2H-naphthalen-1-one
分子式
C12H14O
分子量
174.24

名称与别名

4,4-Dimethyl-3,4-dihydro-2H-naphthalen-1-oneRefChem:507409676-104-02979-69-34,4-dimethyl-3,4-dihydronaphthalen-1(2h)-one4,4-dimethyl-1-tetralone4,4-dimethyltetralin-1-oneMFCD000896064,4-dimethyl-2,3-dihydronaphthalen-1-oneMLS0026081424,4-dimethyltetralone1(2H)-Naphthalenone, 3,4-dihydro-4,4-dimethyl-
展开更多名称
4,4-二甲基-3,4-二氢萘3,4-二氢-4,4-二甲基-1(2H)-萘酮4,4-二甲基-3,4-二氢萘-1(2H)-酮4,4-二甲基-3,4-二氢-2H-萘-1-酮NSC 391284,4-DIMETHYL TETRALONE3,4-Dihydro-4,4-diMethyl-1(2H)-naphthalenone3,4-dihydro-4,4-diMethyl-naphthalen-1(2H)-one
4,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-oneNSC39128SCHEMBL1119749SCHEMBL1810416CHEMBL1878901SCHEMBL30205839DTXSID70284810NHDVZOXPHYFANX-UHFFFAOYSA-N

数据库标识

CAS
2979-69-3
PubChem CID
236547
DTXSID
DTXSID70284810
ChEMBL
CHEMBL1878901
EC Number
676-104-0
Nikkaji
J506.728F

性质

结构计算性质

XLogP
2.9
极性表面积
17.1 Ų
氢键供体
0
氢键受体
1
可旋转键
0
重原子
13

物理化学性质

熔点
12 · 12-14 °C
沸点
119 · 119-120 °C(Press: 6 Torr)
密度
1.017 · 1.017±0.06 g/cm3(Predicted)
储存条件
Sealed in dry,Room Temperature
溶解度
Chloroform (Slightly), Methanol (Slightly)
形态
Oil

安全与法规

GHS分类

GHS Classification · 4 条

Warning

H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]

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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危害信息

Hazard Classes and CategoriesAcute Tox. 4 (33.3%)

安全数据

海关编码
2914390090

化学与工业

上下游产品信息

试剂价格

XW02297969302 · 250MG
4,4-二甲基-3,4-二氢萘-1(2H)-酮 — 550元
XW02297969301 · 100MG
4,4-二甲基-3,4-二氢萘-1(2H)-酮 — 319元

供应商50 家

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

相关反应

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