CAS 112811-65-1 2,4,5-Trifluoro-3-methoxybenzoic acid (HCID 2733970)

이름 및 식별자

우선 이름: 2,4,5-Trifluoro-3-methoxybenzoic acid
IUPAC: 2,4,5-trifluoro-3-methoxybenzoic acid
영어명: 2,4,5-Trifluoro-3-methoxybenzoic acid
분자식: C8H5F3O3
분자량: 206.12

이름 및 동의어

2,4,5-Trifluoro-3-methoxybenzoic acid112811-65-1RefChem:82023622-891-03-methoxy-2,4,5-trifluorobenzoic acid11281-65-52,4,5-trifluoro-3-methoxy-benzoic AcidMFCD001532012,4,5-tris(fluoranyl)-3-methoxy-benzoic acidMoxidectin Impurity 52,4,5-Trifluoro-m-anisic AcidMoxifloxacin Impurity 45

이름 더 보기

Moxifloxacin Impurity Ⅳ2,4,5-Trifluoro-3-Methoxyuoro-3-methoxybenzoic acid3-Methoxyl-2,4,5-TrfluorbenzylAcid3-Methoxy-2,4,5-trifluoroenzoic acid3-Methoxy-2,4,5-trifluorobenzoicacid98%2,4,5-Tetrafluoro-3-methoxybenzoic acidBenzoic acid,2,4,5-trifluoro-3-Methoxy-2,4,5-Trifluoro-3-methoxybenzoic acid 95%3-METHOXY-2,4,5-TRIFLUOROBENZOYL CHLORIDE

2,4,5-trifluoro-3-methoxy benzoic acidBenzoic acid, 2,4,5-trifluoro-3-methoxy-SYASCHEMBL607945YVJHZWWMKFQKDC-UHFFFAOYSA-NDTXSID901286858Moxifloxacin Impurity cent currencySBB063543

데이터베이스 식별자

CAS: 112811-65-1
PubChem CID: 2733970
DTXSID: DTXSID901286858
EC Number: 601-207-4、622-891-0
Nikkaji: J1.630.846C

물성

구조 계산 물성

XLogP: 1.7
극성 표면적: 46.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 6
회전 가능 결합 수: 2
무거운 원자 수: 14
형식 전하: 0
복잡도: 224

물리화학적 성질

녹는점: 105 · 105-112 °C(lit.)
끓는 점: 284.3 · 284.3±35.0 °C(Predicted)
밀도: 1.472 g/mL · 1.472 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.503(lit.)
인화점: 126 °F · 126 °F
저장 조건: Sealed in dry,Room Temperature
물리적 상태: powder to crystal
산도 계수 (pKa): 2.75 · 2.75±0.10(Predicted)
색상: 흰색에서 거의 흰색
BRN: 7428474 · 7428474
InChI: InChI=1S/C8H5F3O3/c1-14-7-5(10)3(8(12)13)2-4(9)6(7)11/h2H,1H3,(H,12,13)
InChIKey: YVJHZWWMKFQKDC-UHFFFAOYSA-N
SMILES: C(O)(=O)C1=CC(F)=C(F)C(OC)=C1F

화학적 성질

white to light yellow crystal 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 (97.8%): 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 46 reports by companies from 6 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 (97.8%)

안전 데이터

wgk: 3
ridadr: UN 1760 8/PG 2
HS 번호: 29189900
risk_code: 34-36/37/38
hazard_code: C,Xi
safety_code: 26-36/37/39-45-36
위험 참고 사항: Irritant

화학 및 산업

응용 분야 · 2건

용도2,4,5-Trifluoro-3-methoxybenzoic acid may be used as a precursor for the preparation of quinolone derivatives. It may also be used to synthesize 1-(carboxymethyl)-6,7-difluoro-8-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid and triaqua (1,10-phenanthroline-κ2N, N′)(2, 4, 5-trifluoro-3-methoxybenzoato-κO1) cobalt (II) 2, 4, 5-trifluoro-3-methoxybenzoate.

일반 설명2,4,5-Trifluoro-3-methoxybenzoic acid readily forms organotin(IV) complexes.