4-Isopropoxybenzoic acid (HCID 72972)

名称と識別子

優先名称: 4-Isopropoxybenzoic acid
IUPAC: 4-propan-2-yloxybenzoic acid
現地名: 4-イソプロポキシ安息香酸
英語名: 4-Isopropoxybenzoic acid
分子式: C10H12O3
分子量: 180.2

名称と別名

4-Isopropoxybenzoic acidBenzoic acid, 4-(1-methylethoxy)-EINECS 236-169-4AI3-12104DTXSID20157323NSC 16646RefChem:524317DTXCID3079814236-169-413205-46-44-(propan-2-yloxy)benzoic acid4-propan-2-yloxybenzoic acid

名称をさらに表示

4-イソプロポキシ安息香酸4-(1-メチルエトキシ)安息香酸4-(プロパン-2-イルオキシ)安息香酸NSC 83240AKOS BB-8630AKOS BBB/275AKOS B000069Fustic extractASISCHEM T31128AKOS BBS-00002792RARECHEM AL BE 0294Baquiloprim Impurity 2

MFCD000443184-Isopropoxy-benzoic acidEnamine_0042384-isopropoxylbenzoic acid4-iso-propoxybenzoic acidSCHEMBL503642MLS0007378084-Isopropoxybenzoic acid, 99%

データベース識別子

CAS: 13205-46-4
PubChem CID: 72972
DTXSID: DTXSID20157323
ChEMBL: CHEMBL1490033
EC Number: 236-169-4
Nikkaji: J213.746A

物性

構造計算による物性

XLogP: 2.8
極性表面積: 46.5 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: 3
重原子数: 13
形式電荷: 0
複雑度: 169

物理化学的性質

融点: 164 · 164-167 °C (lit.)
沸点: 297 ℃ · 297℃
比重(密度): 1.13 · 1.130
屈折率: 1.516 · 1.5160 (estimate)
闪点: 116 ℃ · 116℃
貯蔵温度: 30 °C · Store below +30°C.
酸解離定数(Pka): 1 · pK1:4.68 (20°C)
外見: powder to crystal
色: White to Almost white
水溶解度: 水に不溶。
InChI: 1S/C10H12O3/c1-7(2)13-9-5-3-8(4-6-9)10(11)12/h3-7H,1-2H3,(H,11,12)
InChIKey: ZVERWTXKKWSSHH-UHFFFAOYSA-N
SMILES: CC(C)Oc1ccc(cc1)C(O)=O
CAS データベース: 13205 · 13205-46-4(CAS DataBase Reference)

化学的性質

化学的特性white to off-white powder

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (85.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 7 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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

Regulatory InformationBenzoic acid, 4-(1-methylethoxy)-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (85.7%)

法規制情報

Regulatory InformationBenzoic acid, 4-(1-methylethoxy)-: Does not have an individual approval but may be used under an appropriate group standard

安全データ

wgk: 3
hs_code: 29189900
risk_code: 36/37/38
hazard_code: Xi
safety_code: 24/25
hazard_class: IRRITANT
ストレージクラス: 13 - Non Combustible Solids

化学と産業

応用分野

使用4-Isopropoxybenzoic acid is used to prepare 5-(4-isopropoxyphenyl)-N-phenyl-1,3,4-thiadiazol-2-amine by reacting with N-phenylhydrazinecarbothioamide in the presence of phosphorusoxychloride.

上流・下流製品情報

上流原料

4-ヒドロキシ安息香酸メチル 2-ブロモプロパンカリウムヒドロキシドメタノール ethyl 4-isopropoxybenzoate 4-ヒドロキシ安息香酸イソプロピル 4-イソプロポキシ安息香酸メチル 4-イソプロポキシベンズアルデヒド 4-イソプロポキシベンジルアルコール 4-ヒドロキシ安息香酸四塩化炭素イソプロピルアルコール

サプライヤー50 社

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

武汉敬康恩生物医药科技有限公司13720134139 086-15871494362 13720134139 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]

杭州品高化工有限公司0571-87658025 · [email protected]

4-イソプロポキシ安息香酸

基本情報