CAS 98453-60-2 6-Bromo-4,4-dimethyl-3,4-dihydronaphthalen-1(2H)-one (HCID 11831935)

基本情報

CAS: 98453-60-2
標準SMILES: CC1(C)CCC(=O)c2ccc(Br)cc21
InChIKey: HWRLTYBJEKHTJG-UHFFFAOYSA-N
分子式: C12H13BrO
平均分子量: 253.13 g/mol

名称と識別子

優先名称: 6-Bromo-4,4-dimethyl-3,4-dihydronaphthalen-1(2H)-one
IUPAC: 6-bromo-4,4-dimethyl-2,3-dihydronaphthalen-1-one
現地名: 6-ブロモ-4,4-ジメチル-3,4-ジヒドロナフタレン-1(2H)-オン
英語名: 6-broMo-4,4-diMethyl-3,4-dihydronaphthalen-1(2H)-one
分子式: C12H13BrO
分子量: 253.13

名称と別名

98453-60-26-bromo-4,4-dimethyl-3,4-dihydronaphthalen-1(2h)-oneRefChem:540962857-888-56-bromo-4,4-dimethyl-2,3-dihydronaphthalen-1-one1(2H)-Naphthalenone, 6-bromo-3,4-dihydro-4,4-dimethyl-MFCD220419406-bromo-4,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-one6-Bromo-4,4-dimethyl-3,4-dihydro-2H-naphthalen-1-one6-bromo-3,4-dihydro-4,4-dimethylnaphthalen-1(2H)-oneSCHEMBL3893981HWRLTYBJEKHTJG-UHFFFAOYSA-N

名称をさらに表示

6-ブロモ-4,4-ジメチル-3,4-ジヒドロナフタレン-1(2H)-オン

YDA453606-bromo-4,4-dimethyl-tetralin-1-oneAKOS027338278AS-69520DA-36458SY244616CS-0061119I10575

データベース識別子

CAS: 98453-60-2
PubChem CID: 11831935
EC Number: 857-888-5
Nikkaji: J714.180G

物性

構造計算による物性

XLogP: 3.6
極性表面積: 17.1 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: 14
形式電荷: 0
複雑度: 247

物理化学的性質

融点: 48 ℃ · 48℃
沸点: 335 ℃ · 335℃
比重(密度): 1.351 · 1.351
闪点: 75 ℃ · 75℃
貯蔵温度: Sealed in dry,Room Temperature

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, 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.