CAS 929028-43-3 5-(2,2,2-Trifluoroacetyl)thiophene-2-carboxylic acid (HCID 24274701)

기본 정보

CAS: 929028-43-3
표준 SMILES: O=C(O)c1ccc(C(=O)C(F)(F)F)s1
InChIKey: CMNFOQDCQDBAGO-UHFFFAOYSA-N
분자식: C7H3F3O3S
평균 분자량: 224.16 g/mol

이름 및 식별자

우선 이름: 5-(2,2,2-Trifluoroacetyl)thiophene-2-carboxylic acid
IUPAC: 5-(2,2,2-trifluoroacetyl)thiophene-2-carboxylic acid
영어명: 5-(2,2,2-trifluoroacetyl)thiophene-2-carboxylic acid
분자식: C7H3F3O3S
분자량: 224.16

이름 및 동의어

929028-43-35-(2,2,2-trifluoroacetyl)thiophene-2-carboxylic acidRefChem:529089892-687-65-(Trifluoroacetyl)thiophene-2-carboxylic acid5-(2,2,2-Trifluoroacetyl)-2-thiophenecarboxylic AcidSCHEMBL2202349EMB028435-(Trifluoroacetyl)thiophene-2-carboxylicacidEN300-311752CMNFOQDCQDBAGO-UHFFFAOYSA-N2-Thiophenecarboxylic acid, 5-(2,2,2-trifluoroacetyl)-

데이터베이스 식별자

CAS: 929028-43-3
PubChem CID: 24274701
EC Number: 892-687-6

물성

구조 계산 물성

XLogP: 2.6
극성 표면적: 82.6 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 7
회전 가능 결합 수: 2
무거운 원자 수: 14
형식 전하: 0
복잡도: 263

물리화학적 성질

끓는 점: 354 · 354.0±42.0 °C(Predicted)
밀도: 1.608 · 1.608±0.06 g/cm3(Predicted)
산도 계수 (pKa): 2.66 · 2.66±0.10(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)

화학 및 산업

응용 분야

용도5-(Trifluoroacetyl)thiophene-2-carboxylic Acid is a reagent for fluoroacetylthiophene oxadiazoles as class II human histone deacetylase inhibitors which is useful for cancer therapy.