5-(4-클로로페닐)-2-(트리플루오로메틸)푸란-3-카복실산

5-(4-Chlorophenyl)-2-(trifluoromethyl)furan-3-carboxylic acid

HCID 2736644CAS 175276-60-5
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
O=C(O)c1cc(-c2ccc(Cl)cc2)oc1C(F)(F)F
InChIKey
BQUIEVOFWHVZAW-UHFFFAOYSA-N
분자식
C12H6ClF3O3
평균 분자량
290.62 g/mol
단동위원소 질량
289.99575639

이름 및 식별자

우선 이름
5-(4-Chlorophenyl)-2-(trifluoromethyl)furan-3-carboxylic acid
IUPAC
5-(4-chlorophenyl)-2-(trifluoromethyl)furan-3-carboxylic acid
현지명
5-(4-클로로페닐)-2-(트리플루오로메틸)푸란-3-카복실산
영어명
5-(4-CHLOROPHENYL)-2-(TRIFLUOROMETHYL)FURAN-3-CARBOXYLIC ACID
분자식
C12H6ClF3O3
분자량
290.62

이름 및 동의어

175276-60-55-(4-chlorophenyl)-2-(trifluoromethyl)furan-3-carboxylic acidDTXSID803715035-(4-chlorophenyl)-2-(trifluoromethyl)-3-furancarboxylic acidRefChem:530274DTXCID00322537672-010-95-(4-Chlorophenyl)-2-(Trifluoromethyl)-3-Furoic AcidC12H6ClF3O3MFCD00275555Maybridge1_008497BQUIEVOFWHVZAW-UHFFFAOYSA-N
이름 더 보기
5-(4-클로로페닐)-2-(트리플루오로메틸)푸란-3-카복실산BUTTPARK 37\08-245-(4-Chlorophenyl)-2-(trifluoromethyl)-3-furoicacid97%5-(4-Chlorophenyl)-2-(trifluoromethyl)-3-furoic acid 97%5-(4-Chlorophenyl)-2-(Trifluoromethyl)Furan-3-Carboxylic3-Furancarboxylic acid, 5-(4-chlorophenyl)-2-(trifluoromethyl)-5-(4-Chlorophenyl)-2-(trifluoromethyl)furan-3-carboxylicacid97%5-(4-Chlorophenyl)-2-(trifluoromethyl)furan-3-carboxylic acid 97%
SCHEMBL2063655HMS565K05SBB064782AKOS015850276CCG-251607SB61181MS-22003CS-0268172

데이터베이스 식별자

CAS
175276-60-5
PubChem CID
2736644
DTXSID
DTXSID80371503
EC Number
672-010-9

물성

구조 계산 물성

XLogP
3.7
극성 표면적
50.4 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
6
회전 가능 결합 수
2
무거운 원자 수
19

물리화학적 성질

녹는점
188 · 188-190°C
끓는 점
400.6 · 400.6±45.0 °C(Predicted)
밀도
1.486 · 1.486±0.06 g/cm3(Predicted)
산도 계수 (pKa)
2.85 · 2.85±0.26(Predicted)
물리적 상태
solid
InChI
1S/C12H6ClF3O3/c13-7-3-1-6(2-4-7)9-5-8(11(17)18)10(19-9)12(14,15)16/h1-5H,(H,17,18)

화학적 성질

white to light yellow crystal powde

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301 (33.3%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P316, 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)

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 3 (33.3%)

안전 데이터

wgk
WGK 3
HS 번호
2932190090
risk_code
36/37/38-34-25
hazard_code
Xi,C,T
safety_code
26-36/37/39-45-22
위험 참고 사항
Irritant

화학 및 산업

공급사19 곳

Syntechem Co.,Ltd[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
Clearsynth Labs Limited+91-22-26355700 · [email protected]

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