4-(Trifluoromethyl)benzoic acid (HCID 9966)

이름 및 식별자

우선 이름: 4-(Trifluoromethyl)benzoic acid
IUPAC: 4-(trifluoromethyl)benzoic acid
영어명: 4-(Trifluoromethyl)benzoic acid
분자식: C8H5F3O2
분자량: 190.12

이름 및 동의어

4-(Trifluoromethyl)benzoic acid455-24-34-TRIFLUOROMETHYLBENZOIC ACIDp-Trifluoromethylbenzoic acidBenzoic acid, 4-(trifluoromethyl)-4-trifluoromethyl benzoic acidKA05X8S21ZNSC-88327DTXSID0060018CHEBI:60696Para-(trifluoromethyl)benzoic acidRefChem:517135

이름 더 보기

PTFPTF-BOAC 71640CF3-C6H4-COOHp-benzoic AcidRARECHEM AL BO 0066TIMTEC-BB SBB008571p-Trifluoromethylbenzoic

4-TFMBADTXCID4040426207-242-8alpha,alpha,alpha-Trifluoro-p-toluic acidP-CARBOXYBENZOTRIFLUORIDEMFCD00002562Enamine_005626p-trifluoroformylbenzoic acid

데이터베이스 식별자

CAS: 455-24-3
PubChem CID: 9966
DTXSID: DTXSID0060018
ChEMBL: CHEMBL443234
ChEBI: CHEBI:60696
UNII: KA05X8S21Z
EC Number: 207-242-8
Nikkaji: J141.647B

물성

구조 계산 물성

XLogP: 3.1
극성 표면적: 37.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 5
회전 가능 결합 수: 1
무거운 원자 수: 13
형식 전하: 0
복잡도: 192

물리화학적 성질

녹는점: 219 · 219-220 °C(lit.)
끓는 점: 247 °C · 247°C 753mm
밀도: 1.3173 · 1.3173 (estimate)
인화점: 247 °C/753mm · 247°C/753mm
저장 조건: Sealed in dry,Room Temperature
산도 계수 (pKa): 3.69 · 3.69±0.10(Predicted)
물리적 상태: 미세 결정성 분말
색상: 흰색에서 약간 회색
수용성: 물에 용해됩니다.
BRN: 2049241 · 2049241
InChI: InChI=1S/C8H5F3O2/c9-8(10,11)6-3-1-5(2-4-6)7(12)13/h1-4H,(H,12,13)
InChIKey: SWKPKONEIZGROQ-UHFFFAOYSA-N
SMILES: C(O)(=O)C1=CC=C(C(F)(F)F)C=C1
NIST: «ALPHA»,«alpha»,«alpha»-trifluoro-p-toluic acid(455-24-3)
EPA: 4 · Benzoic acid, 4-(trifluoromethyl)- (455-24-3)

화학적 성질

White to light yellow crystal powde

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 (97.9%): 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 48 reports by companies from 7 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 (97.9%)

안전 데이터

wgk: 3
tsca: TSCA listed
HS 번호: 29163900
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36/37-24/25
위험 등급: IRRITANT
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

용도 및 제조

General Manufacturing InformationBenzoic acid, 4-(trifluoromethyl)-: ACTIVE

응용 분야 · 1건

용도4-(Trifluoromethyl)benzoic acid was used in the synthesis of salicylanilide 4-(trifluoromethyl)benzoates viaN,N-dicyclohexylcarbodiimide coupling in dry N,N-dimethylformamide. It was used as internal standard during the ultra trace analysis of fluorinated aromatic carboxylic acids by GC/MS method.

상·하류 제품 정보

상류 원료

4-Methylbenzotrifluoride 5,5-Dimethyl-2-[4-(trifluoromethyl)phenyl]-1,3,2-dioxaborinane trimethyl(4-(trifluoromethyl)phenyl)silane 4-트리플루오로메틸페닐보론산,피나콜에스테르 4-브로모벤조트리플루오르화물 4-(Trifluoromethyl)benzyl alcohol p-클로로벤조트리플루오라이드

하류 제품

4-(트리플루오로메틸)페닐이소시아네이트 트리플로르메틸-4벤조일클로라이드 4-Trifluoromethylsalicylic acid 4'-(트리플루오로메틸)프로피오페논 2-AMINO-4-(트리플루오로메탄)벤즈산 N-(4-Methoxybenzyl)-4-(trifluoroMethyl)benzaMide, 97%

공급사50 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

衢州润东化工有限公司0570-8789886 18892685668 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

青岛和兴精细化学有限公司0532-66915948

爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

추가 설명

정의ChEBI: A benzoic acid carrying a 4-trifluoromethyl substituent.

연결된 노트

불러오는 중…

4-(Trifluoromethyl)benzoic acid

기본 정보