1,3-Benzenedicarboxylic acid, 5-hydroxy-, 1,3-dimethyl ester (HCID 83065)

이름 및 식별자

우선 이름: 1,3-Benzenedicarboxylic acid, 5-hydroxy-, 1,3-dimethyl ester
IUPAC: dimethyl 5-hydroxybenzene-1,3-dicarboxylate
영어명: Dimethyl 5-hydroxyisophthalate
분자식: C10H10O5
분자량: 210.18

이름 및 동의어

Dimethyl 5-hydroxyisophthalate13036-02-71,3-Benzenedicarboxylic acid, 5-hydroxy-, dimethyl ester1,3-Benzenedicarboxylic acid, 5-hydroxy-, 1,3-dimethyl esterEINECS 235-899-05-Hydroxyisophthalic acid, dimethyl esterDTXSID8065329RefChem:412952DTXCID4033972235-899-0Dimethyl 5-hydroxybenzene-1,3-dicarboxylate5-Hydroxyisophthalic Acid Dimethyl Ester

이름 더 보기

TIMTEC-BB SBB0004915-hydroxyMethylphosphateDimethyl 5-hydroxyisophtalate5-HYDROXY-DIMETHYLISOPHTHALATEDimethyl5-Hydroxyisophthalate>5-HYDROXYISOPHTHALIC ACID DIMETHYLDimethyl 5-hydroxyisophthalate,99%DiMethyl 5-hydroxyisophthalate 98%Dimethyle5-hydroxyisophthalate, 99%

MFCD001343671,3-dimethyl 5-hydroxybenzene-1,3-dicarboxylate5-hydroxyisophthalic acid dimethylesterCS-W008167dimethyl 5-oxidanylbenzene-1,3-dicarboxylatemethyl 5-hydroxy-3-(methoxycarbonyl)benzoate5-Hydroxy-1,3-benzenedicarboxylic Acid 1,3-Dimethyl Ester; 5-Hydroxy-1,3-benzenedicarboxylic Acid Dimethyl Ester; 1-Hydroxy-3,5-bis(methoxycarbonyl)benzene; 3,5-Bis(methoxycarbonyl)phenol; 5-Hydroxyisophthalic Acid Dimethyl Ester; Dimethyl 5-Hydroxy-1,3-benzenedicarboxylatedimethyl 5-hydroxyisophthlate

데이터베이스 식별자

CAS: 13036-02-7
PubChem CID: 83065
DTXSID: DTXSID8065329
EC Number: 235-899-0
Nikkaji: J317.772F

물성

구조 계산 물성

XLogP: 1.3
극성 표면적: 72.8 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 5
회전 가능 결합 수: 4
무거운 원자 수: 15
형식 전하: 0
복잡도: 226

물리화학적 성질

녹는점: 162 · 162-164 °C (lit.)
끓는 점: 360.6 · 360.6±22.0 °C(Predicted)
밀도: 1.284 · 1.284±0.06 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
용해도: DMSO(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 분말 및/또는 덩어리
산도 계수 (pKa): 8.33 · 8.33±0.10(Predicted)
색상: 흰색~밝은 베이지
수용성: 물에 용해됩니다.
BRN: 2650120 · 2650120
InChI: InChI=1S/C10H10O5/c1-14-9(12)6-3-7(10(13)15-2)5-8(11)4-6/h3-5,11H,1-2H3
InChIKey: DOSDTCPDBPRFHQ-UHFFFAOYSA-N
SMILES: C1(C(OC)=O)=CC(O)=CC(C(OC)=O)=C1
LogP: 2.57 · 2.570 (est)
EPA: 5 · Dimethyl 5-hydroxyisophthalate (13036-02-7)

화학적 성질

off-white crystal powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
tsca: TSCA listed
HS 번호: 29182900
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36-37/39
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

용도 및 제조

General Manufacturing Information1,3-Benzenedicarboxylic acid, 5-hydroxy-, 1,3-dimethyl ester: ACTIVE

응용 분야 · 2건

용도Dimethyl 5-Hydroxyisophthalate is a useful synthetic intermediate in the synthesis of N,N-Bis(2,3-dihydroxypropyl)-5-[(N-(2-hydroxyethyl)carbamoyl)methoxy]-2,4,6-triiodoisophthalamide (B426310); a compound related to Ioversol( I737000) which is a nonionic, low osmolality, radiographic contrast agent.

일반 설명Dimethyl 5-hydroxyisophthalate undergoes a base-catalyzed nucleophilic oxirane ring-opening addition reaction with allyl glycidyl ether, to afford 5-substituted derivatives of isophthalic acid. Influence of third component, i.e. a series of 1,ω-alkanediols on the copolymerization reaction of dimethyl 5-hydroxyisophthalate with poly(ethylene glycol) has been studied. Lipase-catalyzed condensation polymerization of dimethyl 5-hydroxyisophthalate with polyethylene glycol is reported.