2,4-Bis(trifluoromethyl)benzoic acid

HCID 141752CAS 32890-87-2

기본 정보

표준 SMILES: O=C(O)c1ccc(C(F)(F)F)cc1C(F)(F)F
InChIKey: JTOIZLCQNWWDCN-UHFFFAOYSA-N
분자식: C9H4F6O2
평균 분자량: 258.12 g/mol
단동위원소 질량: 258.01154869

이름 및 식별자

우선 이름: 2,4-Bis(trifluoromethyl)benzoic acid
IUPAC: 2,4-bis(trifluoromethyl)benzoic acid
영어명: 2,4-BIS(TRIFLUOROMETHYL)BENZOIC ACID
분자식: C9H4F6O2
분자량: 258.12

이름 및 동의어

2,4-Bis(trifluoromethyl)benzoic acid32890-87-22,4-di(Trifluoromethyl)benzoic acidDTXSID90954548RefChem:82222DTXCID801382564621-898-6JTOIZLCQNWWDCN-UHFFFAOYSA-NMFCD00042496BENZOIC ACID, 2,4-BIS(TRIFLUOROMETHYL)-Maybridge4_0032832,4-Bis(trifluoromethyl)benzoicacid

이름 더 보기

RARECHEM AL BO 05122,4-bis(trifluoromethyl)benzoateBenzoicacid,2,4-bis(trifluoroMethyl)-2,4-Bis(trifluoromethyl)benzoicacid98%2,4-Bis(trifluoromethyl)benzoic acid 98%2,4-BIS(TRIFLUOROMETHYL)BENZOIC ACID, 99 %4-Carboxy-alpha,alpha,alpha,alpha',alpha',alpha'-hexafluoro-m-xylene

2,4-bis-trifluoromethylbenzoic acid2,4-bis-trifluoromethyl-benzoic acid2,4 - Bis(trifluoromethyl)benzoic acid2,4-bis-trifluoromethyl-benzSCHEMBL424263SCHEMBL11805874HMS1530F05STR06091

데이터베이스 식별자

CAS: 32890-87-2
PubChem CID: 141752
DTXSID: DTXSID90954548
EC Number: 621-898-6
Nikkaji: J267.271E

물성

구조 계산 물성

XLogP: 3.2
극성 표면적: 37.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 8
회전 가능 결합 수: 1
무거운 원자 수: 17
형식 전하: 0
복잡도: 295

물리화학적 성질

녹는점: 109 · 109-111 °C(lit.)
끓는 점: 219 ℃ · 219℃
밀도: 1.527 · 1.527
인화점: 86 ℃ · 86℃
저장 조건: 2 · 2-8°C
산도 계수 (pKa): 2.72 · 2.72±0.36(Predicted)
물리적 상태: 결정성 분말
색상: 거의 흰색
BRN: 2057460 · 2057460

화학적 성질

white to light yellow crystal powder

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