4-(4-n-펜틸페닐)벤조산

4-Pentyl-4'-biphenylcarboxylic Acid

HCID 2063335
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기본 정보

CAS
59662-47-4
표준 SMILES
CCCCCc1ccc(-c2ccc(C(=O)O)cc2)cc1
InChIKey
VRGQQLFRUKMDSW-UHFFFAOYSA-N
분자식
C18H20O2
평균 분자량
268.3 g/mol
단동위원소 질량
268.14632988

이름 및 식별자

우선 이름
4-Pentyl-4'-biphenylcarboxylic Acid
IUPAC
4-(4-pentylphenyl)benzoic acid
현지명
4-(4-n-펜틸페닐)벤조산
영어명
4-(4-n-Pentylphenyl)benzoic acid
분자식
C18H20O2
분자량
268.35

이름 및 동의어

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
이름 더 보기
4-(4-n-펜틸페닐)벤조산Np(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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP
6.1
극성 표면적
37.3 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
2
회전 가능 결합 수
6
무거운 원자 수
20

물리화학적 성질

녹는점
268 °C · 268 °C (polymorph)(Solv: methanol (67-56-1))
끓는 점
425.6 · 425.6±34.0 °C(Predicted)
밀도
1.075 · 1.075±0.06 g/cm3(Predicted)
저장 조건
Sealed in dry,Room Temperature
산도 계수 (pKa)
4.22 · 4.22±0.10(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 5건

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.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (50%)；Eye Irrit. 2 (50%)；STOT SE 3 (50%)；Aquatic Acute 1 (50%)；Aquatic Chronic 1 (50%)

안전 데이터

신호 어
Warning
유해·위험 문구
암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H302

화학 및 산업

공급사39 곳

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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