3,5-디아세톡시벤조산

3,5-Diacetoxybenzoic Acid

HCID 539869CAS 35354-29-1

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC(=O)Oc1cc(OC(C)=O)cc(C(=O)O)c1
InChIKey: QBTDQJMLMVEUTQ-UHFFFAOYSA-N
분자식: C11H10O6
평균 분자량: 238.19 g/mol
단동위원소 질량: 238.04773803

이름 및 식별자

우선 이름: 3,5-Diacetoxybenzoic Acid
IUPAC: 3,5-diacetyloxybenzoic acid
현지명: 3,5-디아세톡시벤조산
영어명: 3,5-Diacetoxybenzoic acid
분자식: C11H10O6
분자량: 238.19

이름 및 동의어

3,5-Diacetoxybenzoic acid35354-29-1DTXSID50337196RefChem:486592DTXCID40288284630-012-73,5-diacetyloxybenzoic acidBenzoic acid, 3,5-bis(acetyloxy)-3,5-Bis(acetyloxy)benzoic acid3,5-Diacetoxy-benzoic acidMFCD000175913,5-Diacethoxybenzoic acid

이름 더 보기

3,5-디아세톡시벤조산3,5-Diacethoxybenzoicacid3,5-DiacetoxybenzoicAcid>3,5-diacetyloxybenzoic acid

3,5-Diacetoxy Benzoic AcidMaybridge1_0043303.5-diacetoxybenzoic Acid3,5-diacetyloxybezoic acida-Resorcylic acid, diacetateOprea1_191803SCHEMBL417129HMS553M20

데이터베이스 식별자

CAS: 35354-29-1
PubChem CID: 539869
DTXSID: DTXSID50337196
EC Number: 630-012-7
Nikkaji: J648.403D

물성

구조 계산 물성

XLogP: 1.8
극성 표면적: 89.9 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 6
회전 가능 결합 수: 5
무거운 원자 수: 17
형식 전하: 0
복잡도: 300

물리화학적 성질

녹는점: 158 · 158-160°C
끓는 점: 408.4 · 408.4±35.0 °C(Predicted)
밀도: 1.344 · 1.344±0.06 g/cm3(Predicted)
저장 조건: 2 · Storage temp. 2-8°C
산도 계수 (pKa): 3.68 · 3.68±0.10(Predicted)
물리적 상태: powder to crystal
색상: 흰색에서 거의 흰색
BRN: 2741728 · 2741728

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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.