4-메톡시-3-(트리플루오로로메틸)벤즈산

4-Methoxy-3-(trifluoromethyl)benzoic acid

HCID 2775295

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 213598-09-5
표준 SMILES: COc1ccc(C(=O)O)cc1C(F)(F)F
InChIKey: VNWUPESTVBTYJM-UHFFFAOYSA-N
분자식: C9H7F3O3
평균 분자량: 220.14 g/mol
단동위원소 질량: 220.03472874

이름 및 식별자

우선 이름: 4-Methoxy-3-(trifluoromethyl)benzoic acid
IUPAC: 4-methoxy-3-(trifluoromethyl)benzoic acid
현지명: 4-메톡시-3-(트리플루오로로메틸)벤즈산
영어명: 4-Methoxy-3-(trifluoromethyl)benzoic acid
분자식: C9H7F3O3
분자량: 220.15

이름 및 동의어

4-Methoxy-3-(trifluoromethyl)benzoic acid213598-09-5DTXSID40379505RefChem:99589DTXCID00330531630-271-6MFCD01091014Benzoic acid, 4-methoxy-3-(trifluoromethyl)-AKOS005257931CS-W0142584-Methoxy-3-(trifluoromethyl)benzoicacid4-methoxy-3-trifluoromethyl-benzoic acid

이름 더 보기

4-메톡시-3-(트리플루오로로메틸)벤즈산RARECHEM AL BO 09593-TRIFLUOROMETHYL-P-ANISIC ACID4-(Methyloxy)-3-(trifluoroMethyl)benzoic acid4-METHOXY-3-(TRIFLUOROMETHYL)BENZOIC ACID 97%3-(Trifluoromethyl)-p-anisic acid, 5-Carboxy-2-methoxybenzotrifluoride, 4-Carboxy-2-(trifluoromethyl)anisole

4-methoxy-3-trifluoromethylbenzoic acidALPHA-AMINOISOBUTYRICACIDT-BUTYLESTER3-trifluoromethyl-4-methFT-0618885SCHEMBL615379VNWUPESTVBTYJM-UHFFFAOYSA-NSBB071493FM70172

데이터베이스 식별자

CAS: 213598-09-5
PubChem CID: 2775295
DTXSID: DTXSID40379505
EC Number: 630-271-6

물성

구조 계산 물성

XLogP: 2.3
극성 표면적: 46.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 6
회전 가능 결합 수: 2
무거운 원자 수: 15
형식 전하: 0
복잡도: 239

물리화학적 성질

녹는점: 169 · 169-171°C
끓는 점: 290.1 · 290.1±40.0 °C(Predicted)
밀도: 1.38 · 1.380±0.06 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
용해도: 메탄올에 용해됨
물리적 상태: powder to crystal
산도 계수 (pKa): 4.04 · 4.04±0.10(Predicted)
색상: White to Light yellow to Light orange
BRN: 8619237 · 8619237

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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 10 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

HS 번호: 2918999090
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36/37/39
위험 등급: IRRITANT

화학 및 산업

응용 분야

용도4-METHOXY-3-(TRIFLUOROMETHYL)BENZOIC ACID is an organic compound commonly used as an intermediate in the chemical synthesis of pharmaceuticals and pesticides.