4-Pentyl-4'-biphenylcarboxylic Acid

HCID 2063335
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基本情報

CAS
59662-47-4
標準SMILES
CCCCCc1ccc(-c2ccc(C(=O)O)cc2)cc1
InChIKey
VRGQQLFRUKMDSW-UHFFFAOYSA-N
分子式
C18H20O2
平均分子量
268.3 g/mol
単同位体質量
268.14632988

名称と識別子

優先名称
4-Pentyl-4'-biphenylcarboxylic Acid
IUPAC
4-(4-pentylphenyl)benzoic acid
英語名
4-(4-n-Pentylphenyl)benzoic acid
分子式
C18H20O2
分子量
268.35

名称と別名

4-Pentyl-4'-biphenylcarboxylic acid4'-pentyl[1,1'-biphenyl]-4-carboxylic acid4'-Pentyl(1,1'-biphenyl)-4-carboxylic acidRefChem:526257679-502-259662-47-44-(4-pentylphenyl)benzoic acid4'-Pentyl-[1,1'-biphenyl]-4-carboxylic acid4-(4-n-pentylphenyl)benzoic acidMFCD00222813CHEMBL1972924'-Pentyl-biphenyl-4-carboxylic acid
名称をさらに表示
Np(4-N-pentylphenyl)benzoicacid4-Pentylbiphenyl-4'-carboxylic acid4-N-PENTYLBIPHENYL-4'-CARBOXYLIC ACID
[1,1'-Biphenyl]-4-carboxylicacid, 4'-pentyl-4-Carboxy-4''-pentylbiphenylSCHEMBL1367039RARECHEM AL BO 0384DTXSID203662364-(4-n-pentylphenyl)-benzoic acidBDBM50475527SBB059169

データベース識別子

CAS
59662-47-4
PubChem CID
2063335
DTXSID
DTXSID20366236
ChEMBL
CHEMBL197292
EC Number
679-502-2
Nikkaji
J1.192.787D

物性

構造計算による物性

XLogP
6.1
極性表面積
37.3 Ų
水素結合供与体数
1
水素結合受容体数
2
回転可能結合数
6
重原子数
20

物理化学的性質

融点
268 °C · 268 °C (polymorph)(Solv: methanol (67-56-1))
沸点
425.6 · 425.6±34.0 °C(Predicted)
比重(密度)
1.075 · 1.075±0.06 g/cm3(Predicted)
貯蔵温度
Sealed in dry,Room Temperature
酸解離定数(Pka)
4.22 · 4.22±0.10(Predicted)
CAS データベース
59662 · 59662-47-4(CAS DataBase Reference)

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H400 (50%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]；H410 (50%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]

P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 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 CategoriesSkin Irrit. 2 (50%)；Eye Irrit. 2 (50%)；STOT SE 3 (50%)；Aquatic Acute 1 (50%)；Aquatic Chronic 1 (50%)

安全データ

注意喚起語
警告
危険有害性情報
コード 危険有害性情報 危険有害性クラス 区分 注意喚起語 シンボル P コード H302

化学と産業

サプライヤー39 社

郑州汇聚化工有限公司0371-53399770 18037166334 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

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