4-methoxy-2-(trifluoromethyl)benzoic Acid

HCID 2775294CAS 127817-85-0
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
COc1ccc(C(=O)O)c(C(F)(F)F)c1
InChIKey
MLCRFQSWSHKLDP-UHFFFAOYSA-N
분자식
C9H7F3O3
평균 분자량
220.14 g/mol
단동위원소 질량
220.03472857

이름 및 식별자

우선 이름
4-methoxy-2-(trifluoromethyl)benzoic Acid
IUPAC
4-methoxy-2-(trifluoromethyl)benzoic acid
영어명
4-METHOXY-2-(TRIFLUOROMETHYL)BENZOIC ACID
분자식
C9H7F3O3
분자량
220.15

이름 및 동의어

4-methoxy-2-(trifluoromethyl)benzoic Acid127817-85-0DTXSID80379504RefChem:293792DTXCID40330530630-215-0MFCD01091013Benzoic acid, 4-methoxy-2-(trifluoromethyl)-4-Methoxy-2-trifluormethylbenzoic acid4-methoxy-2-trifluoromethylbenzoic acid4-Methoxy-2-(trifluoromethyl)benzoicacidSCHEMBL1983309
이름 더 보기
RARECHEM AL BE 11924-Methoxy-2-(Trifluoromethyl)BenzoicAci2-(Trifluoromethyl)-4-methoxybenzoic acid2-(Trifluoromethyl)-p-anisic acid, 2-Carboxy-5-methoxybenzotrifluoride, 4-Carboxy-3-(trifluoromethyl)anisole
MLCRFQSWSHKLDP-UHFFFAOYSA-NSBB064306AKOS005257330AC-3998CS-W014255FM70024FS-20892-trifluoromethyl-4-methoxybenzoic acid

데이터베이스 식별자

CAS
127817-85-0
PubChem CID
2775294
DTXSID
DTXSID80379504
EC Number
630-215-0

물성

구조 계산 물성

XLogP
2.3
극성 표면적
46.5 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
6
회전 가능 결합 수
2
무거운 원자 수
15

물리화학적 성질

녹는점
147 · 147-150°C
끓는 점
274.8 · 274.8±40.0 °C(Predicted)
밀도
1.38 · 1.380±0.06 g/cm3(Predicted)
저장 조건
Sealed in dry,Room Temperature
물리적 상태
고체
산도 계수 (pKa)
3.5 · 3.50±0.36(Predicted)

화학적 성질

White powder

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): 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 6 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.

유해성 정보

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

안전 데이터

HS 번호
2918999090
hazard_code
Xi
위험 참고 사항
Irritant

화학 및 산업

응용 분야

용도4-methoxy-2-(trifluoromethyl)benzoic acid is useful as a reactant for the synthesis of phenothiazines.

상·하류 제품 정보

공급사50 곳

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Changzhou Anxuan Chemical Co., Ltd+86-0519-89882563 +86-18961279162 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]

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