3'-メトキシビフェニル-3-カルボン酸

3'-Methoxy-biphenyl-3-carboxylic acid

HCID 2759550

基本情報

CAS
168618-45-9
標準SMILES
COc1cccc(-c2cccc(C(=O)O)c2)c1
InChIKey
JFPVSZXZHHOWMI-UHFFFAOYSA-N
分子式
C14H12O3
平均分子量
228.24 g/mol
単同位体質量
228.07864424

名称と識別子

優先名称
3'-Methoxy-biphenyl-3-carboxylic acid
IUPAC
3-(3-methoxyphenyl)benzoic acid
現地名
3'-メトキシビフェニル-3-カルボン酸
英語名
3'-Methoxy-biphenyl-3-carboxylic acid
分子式
C14H12O3
分子量
228.24

名称と別名

3'-Methoxy-biphenyl-3-carboxylic acidRefChem:484698681-343-9168618-45-93'-Methoxybiphenyl-3-carboxylic acid3-(3-methoxyphenyl)benzoic Acid3'-methoxy-[1,1'-biphenyl]-3-carboxylic acidMFCD034245983'-Methoxy-[1,1'-biphenyl]-3-carboxylicacid[1,1'-Biphenyl]-3-carboxylic acid, 3'-methoxy-DTXSID003748343'-methoxy-3-biphenylcarboxylic acid
名称をさらに表示
3'-メトキシビフェニル-3-カルボン酸3'-メトキシ-3-ビフェニルカルボン酸AKOS BAR-0014CHEMBRDG-BB 4400433RARECHEM AL BE 1349
NCGC00374147-01CS-01726173/'-METHOXY-BIPHENYL-3-CARBOXYLIC ACIDXEVAMY209493-biphenyl-(3'-methoxy)carboxylic acidFT-07244683'-methoxy[1,1'-biphenyl]-3-carboxylic acid

データベース識別子

CAS
168618-45-9
PubChem CID
2759550
DTXSID
DTXSID00374834
ChEMBL
CHEMBL4160290
EC Number
681-343-9

物性

構造計算による物性

XLogP
3
極性表面積
46.5 Ų
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
17

物理化学的性質

沸点
417.3 · 417.3±28.0 °C(Predicted)
比重(密度)
1.193 · 1.193±0.06 g/cm3(Predicted)
貯蔵温度
Sealed in dry,Room Temperature
酸解離定数(Pka)
4.11 · 4.11±0.10(Predicted)
CAS データベース
168618 · 168618-45-9(CAS DataBase Reference)

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

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]

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)

Aggregated GHS information provided per 5 reports by companies from 2 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

Hazard Classes and CategoriesAcute Tox. 4 (20%);Acute Tox. 4 (20%);Acute Tox. 4 (20%)

安全データ

hs_code
2916399090
hazard_code
Xi
hazard_note
Irritant

化学と産業

応用分野

使用3''-Methoxy[1,1''-biphenyl]-3-carboxylic Acid is used as a reagent in the preparation of pyridinylhydrazide derivatives as antifungal agents.

サプライヤー41 社

郑州阿尔法化工有限公司+86-18530059196 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
毕佳索(上海毕得医药科技股份有限公司)400-6005915 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]

関連反応

4 件

化合物ノート

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