5-티오펜-2-YL-이속사졸-3-카르복실산
5-(Thiophen-2-yl)-1,2-oxazole-3-carboxylic acid
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기본 정보
- CAS
763109-71-3- 표준 SMILES
O=C(O)c1cc(-c2cccs2)on1- InChIKey
OBTRHBQUXRJHJR-UHFFFAOYSA-N- 분자식
- C8H5NO3S
- 평균 분자량
- 195.2 g/mol
- 단동위원소 질량
- 194.9990142
이름 및 식별자
- 우선 이름
- 5-(Thiophen-2-yl)-1,2-oxazole-3-carboxylic acid
- IUPAC
- 5-thiophen-2-yl-1,2-oxazole-3-carboxylic acid
- 현지명
- 5-티오펜-2-YL-이속사졸-3-카르복실산
- 영어명
- 5-Thiophen-2-yl-isoxazole-3-carboxylic acid
- 분자식
- C8H5NO3S
- 분자량
- 195.2
이름 및 동의어
763109-71-35-(thiophen-2-yl)-1,2-oxazole-3-carboxylic acidDTXSID80390097RefChem:300692DTXCID00340958692-360-65-(thiophen-2-yl)isoxazole-3-carboxylic acid5-Thiophen-2-yl-isoxazole-3-carboxylic acid5-(2-thienyl)isoxazole-3-carboxylic acid5-(2-thienyl)-3-isoxazolecarboxylic acid5-thiophen-2-yl-1,2-oxazole-3-carboxylic acidMFCD04113955
이름 더 보기
5-티오펜-2-YL-이속사졸-3-카르복실산AKOS B020713AKOS PAO-1388AKOS BBS-000068605-(Thiophen-2-yl)ART-CHEM-BB B020713TIMTEC-BB SBB006949RARECHEM AL BE 1296OTAVA-BB BB7020410126SALOR-INT L482587-1EA
F3284-80875-thien-2-ylisoxazole-3-carboxylic acid3-Isoxazolecarboxylicacid, 5-(2-thienyl)-BAS 07803753SCHEMBL619636CHEMBL4207819OBTRHBQUXRJHJR-UHFFFAOYSA-NSMSSF-0614435
데이터베이스 식별자
- CAS
763109-71-3- PubChem CID
- 3157098
- DTXSID
DTXSID80390097- ChEMBL
CHEMBL4207819- EC Number
- 692-360-6
물성
구조 계산 물성보충 중
- XLogP
- 1.6
- 극성 표면적
- 91.6 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 13
- 형식 전하
- 0
- 복잡도
- 212
물리화학적 성질
- 녹는점
- 168 °C · 168 °C
- 저장 조건
- 2 · 2-8°C
- 용해도
- DMSO(적게), 메탄올(약간)에 용해됨
- 물리적 상태
- 고체
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302+H312+H332 (33.3%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]；H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (33.3%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (33.3%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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.；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 CategoriesAcute Tox. 4 (100%)；Acute Tox. 4 (33.3%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；Acute Tox. 4 (33.3%)；STOT SE 3 (100%)
안전 데이터
- HS 번호
- 2934999090
- hazard_code
- Xi
- 위험 등급
- IRRITANT
화학 및 산업
응용 분야
용도5-(Thiophen-2-yl)isoxazole-3-carboxylic acid is a reactant in the cell-free formation of RNA granules with low complexity sequence domain proteins.
관련 반응
12건
화합물 노트
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