5-Fluoro-2-methyl-1H-indene-3-acetic acid

HCID 3015608

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 32004-66-3
표준 SMILES: CC1=C(CC(=O)O)c2cc(F)ccc2C1
InChIKey: QDDPPRDVFIJASZ-UHFFFAOYSA-N
분자식: C12H11FO2
평균 분자량: 206.21 g/mol
단동위원소 질량: 206.07430781

이름 및 식별자

우선 이름: 5-Fluoro-2-methyl-1H-indene-3-acetic acid
IUPAC: 2-(6-fluoro-2-methyl-3H-inden-1-yl)acetic acid
영어명: (5-Fluoro-2-methyl-1H-inden-3-yl)acetic acid
분자식: C12H11FO2
분자량: 206.21

이름 및 동의어

5-Fluoro-2-methyl-1H-indene-3-acetic acid2-(6-fluoro-2-methyl-3H-inden-1-yl)acetic acid5-Fluoro-2-methylindene-3-acetic acidVZD5DN5H64EINECS 250-891-71H-Indene-3-acetic acid, 5-fluoro-2-methyl-DTXSID20185848INDENE-3-ACETIC ACID, 5-FLUORO-2-METHYL-RefChem:102628DTXCID60108339250-891-732004-66-3

이름 더 보기

Sulindac Impurity 7(5-Fluoro-2-methyl-1H-inden-3-yl)5-Fluoro-3-methylindene-2-acetic acid2-Methyl-5-fluoro-1H-indene-3-acetic acid5-Fluoro-2-methyl-1H-indene-3-aceticacid,97%

(5-fluoro-2-methyl-1H-inden-3-yl)acetic acid2-(5-fluoro-2-methyl-1H-inden-3-yl)acetic acidMFCD01076194UNII-VZD5DN5H642-(5-Fluoro-2-methyl-3-indenyl)acetic Acid5-fluoro-2-methyl-3-indenyl-acetic acidSCHEMBL1387817EX-A7997E

데이터베이스 식별자

CAS: 32004-66-3
PubChem CID: 3015608
DTXSID: DTXSID20185848
UNII: VZD5DN5H64
EC Number: 250-891-7、924-772-1
Nikkaji: J278.219G

물성

구조 계산 물성

XLogP: 1.7
극성 표면적: 37.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 15
형식 전하: 0
복잡도: 309

물리화학적 성질

끓는 점: 344.5 · 344.5±42.0 °C(Predicted)
밀도: 1 · 1+-.0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
물리적 상태: solid
산도 계수 (pKa): 4.3 · 4.30±0.10(Predicted)
InChI: InChI=1S/C12H11FO2/c1-7-4-8-2-3-9(13)5-11(8)10(7)6-12(14)15/h2-3,5H,4,6H2,1H3,(H,14,15)
InChIKey: QDDPPRDVFIJASZ-UHFFFAOYSA-N
SMILES: C1C2=C(C=C(F)C=C2)C(CC(O)=O)=C1C

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, 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 5 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationStatus: Active Update: 07-06-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/19563

Hazard Classes and CategoriesAcute Tox. 4 (100%)

안전 데이터

wgk: WGK 3
HS 번호: 2916200090
hazard_code: Xi
위험 등급: IRRITANT
Hazard Classifications: Acute Tox. 4 Oral
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

상·하류 제품 정보

상류 원료

공급사100 곳

苏州道澜生物医药科技有限公司15952404857 · [email protected]

苏州哈诗维生物科技有限公司13951186658 · [email protected]

Suzhou Yuanrui Bio-Tech Co., Ltd+86-18106132862 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

南京道尔医药科技有限公司025-82232968 15250951870 · [email protected]

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