3-クロロアニソール

3-Chloroanisole

HCID 17833CAS 2845-89-8

基本情報

標準SMILES
COc1cccc(Cl)c1
InChIKey
YUKILTJWFRTXGB-UHFFFAOYSA-N
分子式
C7H7ClO
平均分子量
142.58 g/mol
単同位体質量
142.0185425

名称と識別子

優先名称
3-Chloroanisole
IUPAC
1-chloro-3-methoxybenzene
現地名
3-クロロアニソール
英語名
3-Chloroanisole
分子式
C7H7ClO
分子量
142.58

名称と別名

3-Chloroanisole2845-89-8Benzene, 1-chloro-3-methoxy-HQ8W659XSKDTXSID7062667RefChem:93501DTXCID9037820220-642-71-CHLORO-3-METHOXYBENZENEm-ChloroanisoleAnisole, m-chloro-1-chloro-3-methoxy-benzene
名称をさらに表示
3-クロロアニソールm-クロロアニソール3-クロロ-1-メトキシベンゼン1-クロロ-3-メトキシベンゼン3-クロロフェニル(メチル)エーテル3-メトキシフェニルクロリド1-メトキシ-3-クロロベンゼン1-chloro-3-methoxy-benzenm-chlorophenylmethyletheroroanisoL3-Chloroanisole>
MFCD000005913-Chloromethoxybenzene3-methoxyphenyl chloride3-chloroanisol20032-78-4meta-Chloroanisole3-anisolyl chlorideEINECS 220-642-7

データベース識別子

CAS
2845-89-8
PubChem CID
17833
DTXSID
DTXSID7062667
UNII
HQ8W659XSK
EC Number
220-642-7
Nikkaji
J5.167E

物性

構造計算による物性

XLogP
3
極性表面積
9.2 Ų
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
9

実験および物理化学的性質

Kovats Retention Index · 3 件

1072;1081;1084;1080;1085;1092;1068

1110.8;1126

1582;1588;1604;1618;1623;1628

物理化学的性質

融点
25 °C · 25°C
沸点
193 °C · 193 °C (lit.)
比重(密度)
1.164 g/mL · 1.164 g/mL at 25 °C (lit.)
屈折率
20 · n20/D 1.536(lit.)
闪点
164 °F · 164 °F
貯蔵温度
Sealed in dry,Room Temperature

化学的性質

化学的特性CLEAR LIGHT YELLOW LIQUID

安全と法規制

GHS分類

GHS Classification · 6 件

This chemical does not meet GHS hazard criteria for 20% (1 of 5) of reports.

Warning

H227 (20%): Combustible liquid [Warning Flammable liquids];H302 (20%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (20%): Harmful in contact with skin [Warning Acute toxicity, dermal];H315 (80%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (80%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H332 (20%): Harmful if inhaled [Warning Acute toxicity, inhalation];H335 (80%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P210, 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, P370+P378, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 5 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 1 of 5 reports by companies.;There are 4 notifications provided by 4 of 5 reports by companies with hazard statement code(s).;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

危険有害性情報

Hazard Classes and CategoriesFlam. Liq. 4 (20%);Acute Tox. 4 (20%);Acute Tox. 4 (20%);Skin Irrit. 2 (80%);Eye Irrit. 2A (80%);Acute Tox. 4 (20%);STOT SE 3 (80%)

安全データ

wgk
3
tsca
TSCA listed
hs_code
29093090
消防法
危-4-3-III
hazard_code
Xi
hazard_note
Irritant

化学と産業

用途と製造

General Manufacturing InformationBenzene, 1-chloro-3-methoxy-: INACTIVE
応用分野 · 3 件

用途有機合成原料。

使用3-Chloroanisole was employed as starting reagent in the regioselective synthesis of 4- and 7-alkoxyindoles. It was also employed as electrolyte additive for the overcharging protection of Li-ion cell.

一般的な説明One-step preparation of 3-chloroanisole from the corresponding 3-substituted nitrobenzene has been reported.

サプライヤー50 社

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上海将来实业股份有限公司400-0066400 13621662912 · [email protected]

関連反応

24 件

関連ノート

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