6-FLUORO-4H-1,3-벤조디옥신-8-카르복실산

6-fluoro-4H-1,3-benzodioxine-8-carboxylic acid

HCID 2779901CAS 321309-28-8

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=C(O)c1cc(F)cc2c1OCOC2
InChIKey: HWBALMSPYAUMMB-UHFFFAOYSA-N
분자식: C9H7FO4
평균 분자량: 198.15 g/mol
단동위원소 질량: 198.03283686

이름 및 식별자

우선 이름: 6-fluoro-4H-1,3-benzodioxine-8-carboxylic acid
IUPAC: 6-fluoro-4H-1,3-benzodioxine-8-carboxylic acid
현지명: 6-FLUORO-4H-1,3-벤조디옥신-8-카르복실산
영어명: 6-Fluoro-4H-1,3-benzodioxine-8-carboxylic acid
분자식: C9H7FO4
분자량: 198.15

이름 및 동의어

321309-28-86-fluoro-4H-1,3-benzodioxine-8-carboxylic acidDTXSID50381593RefChem:543210DTXCID20332618639-390-86-Fluoro-4H-benzo[1,3]dioxine-8-carboxylic acid6-Fluoro-4H-benzo[d][1,3]dioxine-8-carboxylic acidMFCD026819816-fluoro-2,4-dihydro-1,3-benzodioxine-8-carboxylic acidSDCCGMLS-0065923.P001SCHEMBL643308

이름 더 보기

6-FLUORO-4H-1,3-벤조디옥신-8-카르복실산RARECHEM AL BE 13118-Carboxy-6-fluoro-4H-1,3-benzodioxine6-FLUORO-1,3-BENZODIOXENE-8-CARBOXYLIC ACID6-fluoro-4H-1,3-benzodioxin-8-carboxylic acid4H-1,3-Benzodioxin-8-carboxylic acid, 6-fluoro-

SCHEMBL31258843HWBALMSPYAUMMB-UHFFFAOYSA-NSBB092264AKOS006229969AS-5209CS-0314919F0474406-Fluoro-2H,4H-1,3-benzodioxine-8-carboxylic acid

데이터베이스 식별자

CAS: 321309-28-8
PubChem CID: 2779901
DTXSID: DTXSID50381593
EC Number: 639-390-8

물성

구조 계산 물성

XLogP: 1
극성 표면적: 55.8 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 5
회전 가능 결합 수: 1
무거운 원자 수: 14
형식 전하: 0
복잡도: 233

물리화학적 성질

녹는점: 180 °C · 180 °C
끓는 점: 180 · 180-182
밀도: 1.466 · 1.466±0.06 g/cm3(Predicted)
산도 계수 (pKa): 3.33 · 3.33±0.20(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302+H312+H332 (50%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]；H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (50%): 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 (50%): 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 2 reports by companies from 2 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.