CAS 3038-48-0 (2-(trifluoromethyl)phenyl)acetic acid (HCID 594597)

이름 및 식별자

우선 이름: (2-(trifluoromethyl)phenyl)acetic acid
IUPAC: 2-[2-(trifluoromethyl)phenyl]acetic acid
영어명: 2-(Trifluoromethyl)phenylacetic acid
분자식: C9H7F3O2
분자량: 204.15

이름 및 동의어

2-(Trifluoromethyl)phenylacetic acid3038-48-02-[2-(trifluoromethyl)phenyl]acetic acid2-(2-(Trifluoromethyl)phenyl)acetic acid[2-(trifluoromethyl)phenyl]acetic acidDTXSID90879681(2-(Trifluoromethyl)phenyl)acetic acidRefChem:395211221-240-4Benzeneacetic acid, 2-(trifluoromethyl)-MFCD00004327(alpha,alpha,alpha-Trifluoro-o-tolyl)acetic acid

이름 더 보기

2-(TRIFLUOROMETHYL)BENZOATEOTF-BOATIMTEC-BB SBB000432RARECHEM AL BO 0032RARECHEM AL BO 0117O-CARBOXYBENZOTRIFLUORIDEO-TRIFLUOROMETHYLBENZOIC ACIDA,A,A-TRIFLUORO-O-TOLUIC ACIDO-TRIFLUOROMETHYLPHENYL ACETIC ACID(A,A,A-TRIFLUORO-O-TOLYL)ACETIC ACID

2-Trifluoromethylphenylacetic acid2-(Trifluoromethyl)benzeneacetic acido-Trifluoromethylphenylacetic acido-(Trifluoromethyl)benzeneacetic acid2-(Trifluoromethyl)phenylacetic acid, 98%AM20060021FT-0608972FT-0650772

데이터베이스 식별자

CAS: 3038-48-0
PubChem CID: 594597
DTXSID: DTXSID90879681
UNII: 26224FDZ8F
EC Number: 221-240-4
Nikkaji: J205.347K

물성

구조 계산 물성

XLogP: 2.4
극성 표면적: 37.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 5
회전 가능 결합 수: 2
무거운 원자 수: 14
형식 전하: 0
복잡도: 213

실험 및 물리화학적 성질

LogP2.59

물리화학적 성질

녹는점: 100 · 100-102 °C (lit.)
끓는 점: 247 °C753 · 247 °C753 mm Hg(lit.)
밀도: 1.2815 · 1.2815 (estimate)
저장 조건: Sealed in dry,Room Temperature
물리적 상태: powder to crystal
산도 계수 (pKa): 4.08 · 4.08±0.10(Predicted)
색상: 흰색에서 거의 흰색
BRN: 2267339 · 2267339
InChI: 1S/C9H7F3O2/c10-9(11,12)7-4-2-1-3-6(7)5-8(13)14/h1-4H,5H2,(H,13,14)
InChIKey: TYOCDHCKTWANIR-UHFFFAOYSA-N
SMILES: OC(=O)Cc1ccccc1C(F)(F)F

화학적 성질

white crystals or crystalline 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 48 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

독성 정보

Carcinogen Classification · 5건

Diethyl Phthalate/Dimethyl Phthalate

TR-429: Toxicology and Carcinogenesis Studies of Diethylphthalate (CASRN 84-66-2) in F344/N Rats and B6C3F1 Mice (Dermal Studies) with Dermal Initiation/Promotion Study of Diethylphthalate and Dimethylphthalate (CASRN 131-11-3) in Male Swiss (CD-1) Mice (1995 )

11/17/93

Dermal Initiation/ Promotion Study

Under the conditions of these 2-year dermal studies, there was no evidence of carcinogenic activity of diethylphthalate in male or female F344/N rats receiving 100 or 300 mL. The sensitivity of the male rat study was reduced due to low survival in all groups. There was equivocal evidence of carcinogenic activity of diethylphthalate in male and female B6C3F1 mice based on increased incidences of hepatocellular neoplasms, primarily adenomas.

안전 데이터

wgk: 3
HS 번호: 29163990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-37/39-36
위험 등급: IRRITANT
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도2-(Trifluoromethyl)phenylacetic acid has been used in the synthesis of potential antithrombotics and lipoxygenase inhibitors.

상·하류 제품 정보

상류 원료

공급사100 곳

常州帝通化工有限公司+86-0519-88298848 · [email protected]

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

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

上海策嵘生物科技有限公司[email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

화합물 노트

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(2-(trifluoromethyl)phenyl)acetic acid

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