2-브로모-4-(트리플루오로메틸)벤조산

2-Bromo-4-(trifluoromethyl)benzoic acid

HCID 67605

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 328-89-2
표준 SMILES: O=C(O)c1ccc(C(F)(F)F)cc1Br
InChIKey: SINIIFNWZPCJGU-UHFFFAOYSA-N
분자식: C8H4BrF3O2
평균 분자량: 269.01 g/mol
단동위원소 질량: 267.93467613

이름 및 식별자

우선 이름: 2-Bromo-4-(trifluoromethyl)benzoic acid
IUPAC: 2-bromo-4-(trifluoromethyl)benzoic acid
현지명: 2-브로모-4-(트리플루오로메틸)벤조산
영어명: 2-bromo-4-(trifluoromethyl)benzoic acid
분자식: C8H4BrF3O2
분자량: 269.02

이름 및 동의어

2-Bromo-4-(trifluoromethyl)benzoic acid328-89-2EINECS 206-339-2DTXSID40186473RefChem:85704DTXCID50108964206-339-2MFCD073688372-Bromo-4-(trifluoromethl)benzoic acidBENZOIC ACID, 2-BROMO-4-(TRIFLUOROMETHYL)-2-BROMO-4-TRIFLUOROMETHYLBENZOIC ACIDSCHEMBL422332

이름 더 보기

2-브로모-4-(트리플루오로메틸)벤조산3-Bromo-4-carboxybenzotrifluoride2-BroM-4-trifluorMethyl-benzoesaeure2-bromo-4-(trifluoromethyl)benzoicaciBenzoic acid,2-broMo-4-(trifluoroMethyl)-2-Bromo-4-(trifluoromethyl)benzoicacid,98%2-Bromo-4-(trifluoromethyl)benzoic acid 97+%

55F6F4XX8GCL8027AKOS0050639212-Bromo-4-(trifluoromethyl)benzoicacid2-Bromo-4-trifluoromethyl-benzoic acidAC-3921CS-W008307GS-4443

데이터베이스 식별자

CAS: 328-89-2
PubChem CID: 67605
DTXSID: DTXSID40186473
UNII: 55F6F4XX8G
EC Number: 206-339-2
Nikkaji: J193.753G

물성

구조 계산 물성

XLogP: 4
극성 표면적: 37.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 5
회전 가능 결합 수: 1
무거운 원자 수: 14
형식 전하: 0
복잡도: 229

물리화학적 성질

녹는점: 114 to · 114.0 to 118.0 °C
끓는 점: 271.9 · 271.9±40.0 °C(Predicted)
밀도: 1.773 · 1.773±0.06 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
물리적 상태: powder to crystal
산도 계수 (pKa): 2.34 · 2.34±0.10(Predicted)
색상: White to Orange to Green

화학적 성질

white to light yellow crystal powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (22.2%): Harmful if swallowed [Warning Acute toxicity, oral]

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 9 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.