CAS 174913-12-3 1-Bromo-3-chloro-5-methoxybenzene (HCID 21949840)

基本情報

CAS: 174913-12-3
標準SMILES: COc1cc(Cl)cc(Br)c1
InChIKey: VOGGSKPTKSAXHR-UHFFFAOYSA-N
分子式: C7H6BrClO
平均分子量: 221.48 g/mol
単同位体質量: 219.92905459

名称と識別子

優先名称: 1-Bromo-3-chloro-5-methoxybenzene
IUPAC: 1-bromo-3-chloro-5-methoxybenzene
現地名: 1-ブロモ-3-クロロ-5-メトキシベンゼン
英語名: 1-BROMO-3-CHLORO-5-METHOXYBENZENE
分子式: C7H6BrClO
分子量: 221.48

名称と別名

1-BROMO-3-CHLORO-5-METHOXYBENZENE174913-12-3DTXSID80620624RefChem:228496DTXCID705713783-BROMO-5-CHLOROANISOLEBenzene, 1-bromo-3-chloro-5-methoxy-MFCD11035921SCHEMBL262968CL8602AKOS015851922CS-W005370

名称をさらに表示

1-ブロモ-3-クロロ-5-メトキシベンゼンPhloroglucinol Impurity 34Phloroglucinol Impurity 563-chloro-5-bromobenzyl ether3-Bromo-5-chlorobenzaldehyde ether3-bromo-5-chlorotrifluoromethoxybenzene1-BROMO-3-CHLORO-5-METHOXYBENZENE ISO 9001：2015 REACH

AB62692DS-14797SY1046121-Bromo-3-chloro-5-methoxy-benzeneAM84121A3867DB-011148EN300-301953

データベース識別子

CAS: 174913-12-3
PubChem CID: 21949840
DTXSID: DTXSID80620624
EC Number: 992-563-2
Nikkaji: J2.546.116I

物性

構造計算による物性

XLogP: 3.9
極性表面積: 9.2 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: 1
重原子数: 10
形式電荷: 0
複雑度: 110

物理化学的性質

沸点: 236.5 · 236.5±20.0 °C(Predicted)
比重(密度): 1.564 · 1.564±0.06 g/cm3(Predicted)
貯蔵温度: Sealed in dry,Room Temperature
InChI: InChI=1S/C7H6BrClO/c1-10-7-3-5(8)2-6(9)4-7/h2-4H,1H3
InChIKey: VOGGSKPTKSAXHR-UHFFFAOYSA-N
SMILES: C1(Br)=CC(OC)=CC(Cl)=C1

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

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

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.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (100%)

安全データ

hs_code: 2909303890

化学と産業

応用分野 · 1 件

使用1-Bromo-3-chloro-5-methoxybenzene is a commonly used organobenzene compound whose bromine or chlorine atoms on the benzene ring structure can be replaced by other halogenated atoms for the synthesis of other halogenated methoxybenzene derivatives. It can also be used to synthesise 3-Bromo-5-chlorophenol and its derivatives.