3'-메톡시-비페닐-3-카르복실산

3'-Methoxy-biphenyl-3-carboxylic acid

HCID 2759550

기본 정보

CAS
168618-45-9
표준 SMILES
COc1cccc(-c2cccc(C(=O)O)c2)c1
InChIKey
JFPVSZXZHHOWMI-UHFFFAOYSA-N
분자식
C14H12O3
평균 분자량
228.24 g/mol
단동위원소 질량
228.07864424

이름 및 식별자

우선 이름
3'-Methoxy-biphenyl-3-carboxylic acid
IUPAC
3-(3-methoxyphenyl)benzoic acid
현지명
3'-메톡시-비페닐-3-카르복실산
영어명
3'-Methoxy-biphenyl-3-carboxylic acid
분자식
C14H12O3
분자량
228.24

이름 및 동의어

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
이름 더 보기
3'-메톡시-비페닐-3-카르복실산AKOS 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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP
3
극성 표면적
46.5 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
3
회전 가능 결합 수
3
무거운 원자 수
17

물리화학적 성질

끓는 점
417.3 · 417.3±28.0 °C(Predicted)
밀도
1.193 · 1.193±0.06 g/cm3(Predicted)
저장 조건
Sealed in dry,Room Temperature
산도 계수 (pKa)
4.11 · 4.11±0.10(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 5건

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.

유해성 정보

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

안전 데이터

HS 번호
2916399090
hazard_code
Xi
위험 참고 사항
Irritant

화학 및 산업

응용 분야

용도3''-Methoxy[1,1''-biphenyl]-3-carboxylic Acid is used as a reagent in the preparation of pyridinylhydrazide derivatives as antifungal agents.

공급사41 곳

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]

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4건

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